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KHBoddin GmbH

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Profile: Karl H. Boddin Chemiehandel GmbH deals with pharmaceutical chemical products, raw materials and intermediates. We provide animal feed additives, foodstuff additives, raw materials for cosmetics and oil-based primary chemical products. Our product line includes acetanilide, acenaphthene, acetoacetanilide, acetylencarboxylic acid, 2-amino-4,5-dimethoxybenzoic acid, ammonium benzoate, benzalkonium chloride, benzotriazole, benzylacetone, benzyl acetate and 2-n-butylbenzofuran.

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• Isonitrosoacetophenone
IUPAC Name: (2E)-2-hydroxyimino-1-phenylethanone | CAS Registry Number: 532-54-7
Synonyms: Benzoylformaldoxime, Oximinoacetophenone, Phenylglyoxaldoxime, INAF, Phenylglyoxal aldoxime, Phenylglyoxal monoxime, 2-Isonitrosoacetophenone, Phenylglyoxal 2-oxime, 2-Hydroxyiminoacetophenone, omega-Isonitrosoacetophenone, Acetophenone, 2-hydroxyimino-, Glyoxal, phenyl-, 2-oxime, I18202_ALDRICH, 2-keto-2-phenyl-acetaldoxime, .omega.-Isonitrosoacetophenone, omega-(Hydroxyimino)acetophenone, NSC 1330, EINECS 208-539-5, GLYOXAL, 1-PHENYL-, 2-OXIME, BRN 2041691

Molecular Formula: C8H7NO2Molecular Weight: 149.146680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MLNKXLRYCLKJSS-RMKNXTFCSA-N

• Isopropyl chloride
IUPAC Name: 2-chloropropane | CAS Registry Number: 75-29-6
Synonyms: Narcosop, Isoprid, Propane, 2-chloro-, Isopropylchloride, 2-CHLOROPROPANE, 2-Propyl chloride, sec-Propyl chloride, Chlorodimethylmethane, 2-CHLORO-PROPANE, CCRIS 874, C68563_ALDRICH, HSDB 5204, 240613_ALDRICH, 02489_FLUKA, EINECS 200-858-8, UN2356, BRN 1730782, AI3-18025, LS-119656, 2-Chloropropane [UN2356] [Flammable liquid]

Molecular Formula: C3H7ClMolecular Weight: 78.540680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ULYZAYCEDJDHCC-UHFFFAOYSA-N

• Lipoic acid
IUPAC Name: 5-[(3R)-dithiolan-3-yl]pentanoic acid | CAS Registry Number: 1200-22-2
Synonyms: lipoic acid, thioctic acid, lipoate, Heparlipon, Biletan, alpha-Lipoic acid, Thioctacid, Thioctidase, Tioctidasi, Lipothion, Thioctsan, Tioctacid, Liposan, alpha-liponic acid, Thioctanoic acid, (R)-lipoic acid, Protogen A, Thiooctanoic acid, R-Lipoate, R-Lipoic acid

Molecular Formula: C8H14O2S2Molecular Weight: 206.325560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AGBQKNBQESQNJD-SSDOTTSWSA-N

• M-Aminobenzoic Acid
IUPAC Name: 3-aminobenzoic acid | CAS Registry Number: 99-05-8
Synonyms: m-Carboxyaniline, m-Aminobenzoic acid, 3-Carboxyaniline, gabaculine, Benzoic acid, 3-amino-, 3-AMINOBENZOIC ACID, Benzoic acid, m-amino-, MABA, m-Aminobenzoesaeure, 3-Aminobenzoesaeure, meta-aminobenzoic acid, Aniline-3-carboxylic acid, WLN: ZR CVQ, Oprea1_172994, C7H7NO2, MLS000069458, MLS001076476, 127671_ALDRICH, 06920_FLUKA, CHEBI:42682

Molecular Formula: C7H7NO2Molecular Weight: 137.135980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XFDUHJPVQKIXHO-UHFFFAOYSA-N

• M-Aminothioanisole
IUPAC Name: 3-methylsulfanylaniline | CAS Registry Number: 1783-81-9
Synonyms: m-Aminothioanisole, 3-(Methylthio)aniline, 3-Aminothioanisole, m-(Methylthio)aniline, 3-Methylmercaptoaniline, 3-Methylthiobenzenamine, Benzenamine, 3-(methylthio)-, m-Aminophenyl methyl sulfide, 3-(Methylmercapto)aniline, ANILINE, m-(METHYLTHIO)-, 144886_ALDRICH, EINECS 217-232-5, NSC 66274, NSC66274, BRN 2078599, ZINC00388267, LS-19905, 4-13-00-01007 (Beilstein Handbook Reference), InChI=1/C7H9NS/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H

Molecular Formula: C7H9NSMolecular Weight: 139.218060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KCHLDNLIJVSRPK-UHFFFAOYSA-N

• M-Bromonitrobenzene
IUPAC Name: 1-bromo-3-nitrobenzene | CAS Registry Number: 585-79-5
Synonyms: M-BROMONITROBENZENE, m-Nitrobromobenzene, 1-Bromo-3-nitrobenzene, 3-Bromonitrobenzene, 3-Nitrobromobenzene, Benzene, 1-bromo-3-nitro-, BROMONITROBENZENE, CCRIS 3114, ghl.PD_Mitscher_leg0.921, NSC 7084, 17700_FLUKA, EINECS 209-563-9, NSC7084, UN2732, STK286023, ZINC01566594, AI3-09054, FS003020, LS-29209, ST5406626

Molecular Formula: C6H4BrNO2Molecular Weight: 202.005460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FWIROFMBWVMWLB-UHFFFAOYSA-N

• m-Chloro Propiophenone
IUPAC Name: 1-(3-chlorophenyl)propan-1-one | CAS Registry Number: 34841-35-5
Synonyms: 3'-Chloropropiophenone, m-Chloropropiophenone, 248193_ALDRICH, EINECS 252-242-3, 1-Propanone, 1-(3-chlorophenyl)-, ZINC00407109, ST5405393, TL8002590

Molecular Formula: C9H9ClOMolecular Weight: 168.620160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PQWGFUFROKIJBO-UHFFFAOYSA-N

• m-Dibromobenzene
IUPAC Name: 1,3-dibromobenzene | CAS Registry Number: 108-36-1
Synonyms: Benzene, m-dibromo-, Benzene, 1,3-dibromo-, 1,3-DIBROMOBENZENE, 194395_ALDRICH, CHEBI:37151, EINECS 203-574-2, CID7927, LS-29659, ST5406440, InChI=1/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4

Molecular Formula: C6H4Br2Molecular Weight: 235.903960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: JSRLURSZEMLAFO-UHFFFAOYSA-N

• M-Difluorobenzene
IUPAC Name: 1,3-difluorobenzene | CAS Registry Number: 372-18-9
Synonyms: m-Difluorobenzene, Benzene, m-difluoro-, 1,3-DIFLUOROBENZENE, Benzene, 1,3-difluoro-, meta-Difluorobenzene, 1,3-Difluorbenzol, Ambap5726, WLN: FR CF, D102008_ALDRICH, CHEBI:38584, EINECS 206-746-5, CID9741, NSC 10285, Benzene, 1,3-difluoro- (9CI), JRD-0432, NSC10285, LS-29834, TL8002738

Molecular Formula: C6H4F2Molecular Weight: 114.092766 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UEMGWPRHOOEKTA-UHFFFAOYSA-N

• M-Fluoroaniline
IUPAC Name: 3-fluoroaniline | CAS Registry Number: 372-19-0
Synonyms: m-Fluoroaniline, 3-FLUOROANILINE, Benzenamine, 3-fluoro-, 3-Fluoranilin, Aniline, 3-fluoro-, Aniline, m-fluoro-, 1-Amino-3-fluorobenzene, 3-Fluoranilin [Czech], WLN: ZR CF, F3606_ALDRICH, Aniline, m-fluoro- (8CI), 46480_FLUKA, EINECS 206-747-0, NSC 10300, UN2941, NSC10300, BRN 1305471, ZINC00157619, AI3-28559, LS-19820

Molecular Formula: C6H6FNMolecular Weight: 111.116943 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QZVQQUVWFIZUBQ-UHFFFAOYSA-N

• m-Fluorobenzenethiol
IUPAC Name: 3-fluorobenzenethiol | CAS Registry Number: 2557-77-9
Synonyms: m-Fluorothiophenol, 3-Fluorothiophenol, 3-Fluoro thiophenol, 3-Fluorobenzenethiol, Benzenethiol, 3-fluoro-, 275387_ALDRICH, CID75710, EINECS 219-876-2, TL806409, TL8006731, Y11010

Molecular Formula: C6H5FSMolecular Weight: 128.167303 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZDEUGINAVLMAET-UHFFFAOYSA-N

• M-Methoxy Benzaldehyde
IUPAC Name: 3-methoxybenzaldehyde | CAS Registry Number: 591-31-1
Synonyms: 3-Methoxybenzaldehyde, M-ANISALDEHYDE, 3-Anisaldehyde, m-Methoxybenzaldehyde, Benzaldehyde, 3-methoxy-, Metamethoxybenzaldehyde, CCRIS 960, W513105_ALDRICH, 129658_ALDRICH, 64780_FLUKA, EINECS 209-712-8, NSC 43794, CID11569, CPD-8779, NSC43794, BRN 0606013, ZINC01676373, AI3-52556, LS-20019, ST5213433

Molecular Formula: C8H8O2Molecular Weight: 136.147920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WMPDAIZRQDCGFH-UHFFFAOYSA-N

• M-Nitro Benzoyl Chloride
IUPAC Name: 3-nitrobenzoyl chloride | CAS Registry Number: 121-90-4
Synonyms: 3-Nitrobenzoyl chloride, Benzoyl chloride, m-nitro-, Benzoyl chloride, 3-nitro-, M-NITROBENZOYL CHLORIDE, nchembio.87-comp43, WLN: WNR CVG, 3-Nitro-benzoyl chloride, CCRIS 1186, 127663_ALDRICH, NSC 5380, EINECS 204-505-9, NSC5380, BRN 0777186, Chlorid kyseliny m-nitrobenzoove [Czech], LS-658, ZINC01680882, AI3-14869, NCGC00091584-01, 4-09-00-01061 (Beilstein Handbook Reference), M-NITROBENZOYL CHLORIDE (SEE ALSO: M-NITROBENZOIC ACID (CAS 121-92-6))

Molecular Formula: C7H4ClNO3Molecular Weight: 185.564560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NXTNASSYJUXJDV-UHFFFAOYSA-N

• M-Nitrobenzoic Acid
IUPAC Name: 3-nitrobenzoic acid | CAS Registry Number: 121-92-6
Synonyms: m-Nitrobenzoic acid, Benzoic acid, m-nitro-, Benzoic acid, 3-nitro-, 3-NITROBENZOIC ACID, Metanitrobenzoic acid, meta-Nitrobenzoic acid, WLN: WNR CVQ, m-Nitrobenzenecarboxylic acid, CCRIS 2335, HSDB 6028, 185329_ALDRICH, NSC 9801, EINECS 204-508-5, NSC9801, AIDS166836, AIDS-166836, BRN 0908644, LS-659, STK301724, AI3-09015

Molecular Formula: C7H5NO4Molecular Weight: 167.118900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: AFPHTEQTJZKQAQ-UHFFFAOYSA-N

• Meldrum's acid
IUPAC Name: 2,2-dimethyl-1,3-dioxane-4,6-dione | CAS Registry Number: 2033-24-1
Synonyms: Isopropylidene malonate, 2,2-Dimethyl-1,3-dioxane-4,6-dione, cycl-Isopropylidene malonate, 1,3-Dioxane-4,6-dione, 2,2-dimethyl-, Cyclic isopropylidene malonate, 2,2-Dimethyl-4,6-dioxo-m-dioxane, 2,2-Dimethyl-m-dioxane-4,6-dione, 210145_ALDRICH, Malonic acid, cyclic isopropylidene ester, EINECS 217-992-8, NSC 71902, NSC688343, AIDS150666, AIDS-150666, NSC71902, BRN 0117310, ZINC01697324, m-DIOXANE-4,6-DIONE, 2,2-DIMETHYL-, AI3-39039, Malonic acid cyclic isopropylidene ester

Molecular Formula: C6H8O4Molecular Weight: 144.125320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: GXHFUVWIGNLZSC-UHFFFAOYSA-N

• Meta Chloro Per Benzoic Acid
IUPAC Name: 3-chlorobenzenecarboperoxoic acid | CAS Registry Number: 937-14-4
Synonyms: 3-Chloroperbenzoic acid, M-Chloroperbenzoic acid, 3-Chloroperoxybenzoic acid, MCPBA, M-Chloroperoxybenzoic acid, m-Chlorobenzoyl hydroperoxide, m-CPBA, Perbenzoic acid, m-chloro-, 3-Chlorobenzenecarboperoxoic acid, Peroxybenzoic acid, m-chloro-, meta-chloroperbenzoic acid, CCRIS 639, meta-chloroperoxybenzoic acid, Benzenecarboperoxoic acid, 3-chloro-, 273031_ALDRICH, 25800_FLUKA, CHEBI:52091, EINECS 213-322-3, NSC 97094, NSC97094

Molecular Formula: C7H5ClO3Molecular Weight: 172.565800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NHQDETIJWKXCTC-UHFFFAOYSA-N

• Meta Chloroaniline
IUPAC Name: 3-chloroaniline | CAS Registry Number: 108-42-9
Synonyms: m-Chloroaniline, 3-CHLOROANILINE, m-Chloraniline, Orange GC Base, m-Chlorophenylamine, Benzenamine, 3-chloro-, 3-Chlorobenzenamine, 3-Chlorophenylamine, m-Aminochlorobenzene, m-Chloroaminobenzene, Aniline, m-chloro-, 3-Cloroaniline, 3-Chlooranilinen, Fast Orange GC Base, meta-Aminochlorobenzene, 1-Amino-3-chlorobenzene, 3-Chlooranilinen [Dutch], 3-Cloroaniline [Italian], 3-CHLORO-ANILINE, WLN: ZR CG

Molecular Formula: C6H6ClNMolecular Weight: 127.571540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PNPCRKVUWYDDST-UHFFFAOYSA-N

• Meta Phenylene Diamine (MPDA)
IUPAC Name: benzene-1,3-diamine | CAS Registry Number: 108-45-2
Synonyms: m-Phenylenediamine, m-Diaminobenzene, 3-Aminoaniline, m-Aminoaniline, m-Benzenediamine, Developer C, Developer H, Developer M, 1,3-BENZENEDIAMINE, 1,3-Diaminobenzene, Direct Brown BR, Direct Brown GG, 1,3-Phenylenediamine, Developer 11, 3-Phenylenediamine, Benzenediamine, Diaminobenzene, Metaphenylenediamine, meta-Aminoaniline, m-Fenylendiamin

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: WZCQRUWWHSTZEM-UHFFFAOYSA-N

• Meta Toluic Acid
IUPAC Name: 3-methylbenzoic acid | CAS Registry Number: 99-04-7
Synonyms: 3-Methylbenzoic acid, M-TOLUIC ACID, m-Toluylic acid, meta-Toluic acid, 3-Toluic acid, m-Methylbenzoic acid, Benzoic acid, 3-methyl-, m-Methylbenzoate, beta-Methylbenzoic acid, beta-Bethylbenzoic acid, NCIOpen2_000993, T36609_ALDRICH, BENZOIC ACID,3-METHYL, NSC 2214, 89890_FLUKA, 89892_FLUKA, CHEBI:10589, EINECS 202-723-9, NSC2214, AIDS018012

Molecular Formula: C8H8O2Molecular Weight: 136.147920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GPSDUZXPYCFOSQ-UHFFFAOYSA-N

• Metanilic acid
IUPAC Name: 3-aminobenzenesulfonic acid | CAS Registry Number: 121-47-1
Synonyms: m-Sulfanilic acid, m-Aminobenzenesulfonic acid, m-Anilinesulfonic acid, Kyselina metanilova, Aminobenzenesulfonic acid, 3-AMINOBENZENESULFONIC ACID, 3-Aminobenzenesulfonate, Aniline-m-sulfonic acid, 1-Aminobenzene-3-sulfonic acid, 3-Aminobenzenesulphonic acid, Kyselina metanilova [Czech], WLN: ZR CSWQ, 3-Amino-benzenesulfonic acid, Benzenesulfonic acid, 3-amino-, Kyselina anilin-3-sulfonova, CCRIS 2760, m-Amino benzenesulfonic acid, 165794_ALDRICH, NSC 4504, 06998_FLUKA

Molecular Formula: C6H7NO3SMolecular Weight: 173.189680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ZAJAQTYSTDTMCU-UHFFFAOYSA-N

• Methallyl Alcohol
IUPAC Name: 2-methylprop-2-en-1-ol | CAS Registry Number: 513-42-8
Synonyms: Isopropenyl carbinol, Methacryl alcohol, METHALLYL ALCOHOL, 2-Methylallyl alcohol, beta-Methallyl alcohol, 2-Propen-1-ol, 2-methyl-, beta-Methylallyl alcohol, 3-Hydroxy-2-methylpropene, 2-Methylprop-2-en-1-ol, 'Isobutenol’, 2-Methyl-2-propen-1-ol, 112046_ALDRICH, WLN: Q1Y1&U1, EINECS 208-161-0, NSC 30674, UN2614, CID10557, NSC30674, BRN 0969226, NSC404204

Molecular Formula: C4H8OMolecular Weight: 72.105720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BYDRTKVGBRTTIT-UHFFFAOYSA-N

• Methyl (R)-(+)-2,2,-dimethyl-1,3-dioxolan-4-carboxylate
IUPAC Name: methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate | CAS Registry Number: 52373-72-5
Synonyms: Methyl (R)-(+)-2,2-dimethyl-1,3-dioxolane-4-carboxylate, methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate, (R)-2,2-Dimethyl-[1,3]dioxolane-4-carboxylic acid methyl ester, (R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic Acid Methyl Ester, 2,2-dimethyl-(4R)-1,3-dioxolane-4-carboxylic acid methyl ester, PubChem7064, AC1LGWU9, (R)-methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate, SureCN877770, Methyl(R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxylate, KSC595Q2D, 345482_ALDRICH, CTK4J5821, DOWWCCDWPKGNGX-RXMQYKEDSA-, MolPort-000-003-495, ANW-31450, ZINC00389654, AKOS015842237, AKOS015910913, AG-F-78435

Molecular Formula: C7H12O4Molecular Weight: 160.167780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: DOWWCCDWPKGNGX-RXMQYKEDSA-N

• Methyl 1-methyl-2-pyrroleacetate
IUPAC Name: methyl 2-(1-methylpyrrol-2-yl)acetate | CAS Registry Number: 51856-79-2
Synonyms: Methyl 1-methylpyrrol-2-acetate, Methyl 1-methyl-1H-pyrrole-2-acetate, EINECS 257-478-0, ZINC00156541, 1H-Pyrrole-2-acetic acid, 1-methyl-, methyl ester, ST5308364, TL8006329, InChI=1/C8H11NO2/c1-9-5-3-4-7(9)6-8(10)11-2/h3-5H,6H2,1-2H

Molecular Formula: C8H11NO2Molecular Weight: 153.178440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CGYVDYLHQYNGFC-UHFFFAOYSA-N

• Methyl 2,6-Difluorobenzoate
IUPAC Name: methyl 2,6-difluorobenzoate | CAS Registry Number: 13671-00-6
Synonyms: Methyl 2,6-difluorobenzoate, SBB064031, AG-D-74669, 2,6-Difluorobenzoic acid, methyl ester, ACMC-1BXYV, AC1LAR75, SureCN1070351, KSC494G7R, Methyl 2,6-difluorobenzoate,, 542636_ALDRICH, CTK3J4378, MolPort-000-146-870, ANW-20169, STK427196, ZINC00167042, AKOS003306038, MCULE-5384665412, 2-(Methoxycarbonyl)-1,3-difluorobenzene, AK-58617, KB-53762

Molecular Formula: C8H6F2O2Molecular Weight: 172.128846 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: QNPFLTKQLFSKBY-UHFFFAOYSA-N

• Methyl 2-hydroxyisobutyrate
IUPAC Name: methyl 2-hydroxy-2-methylpropanoate | CAS Registry Number: 2110-78-3
Synonyms: Methyl 2-methyllactate, Methyl alpha-hydroxyisobutyrate, Methyl .alpha.-hydroxyisobutyrate, M50206_ALDRICH, Methyl 2-hydroxy-2-methylpropionate, NSC7305, NSC9381, AIDS017664, AIDS-017664, NSC 7305, NSC 9381, EINECS 218-301-2, ZINC00395639, Lactic acid, 2-methyl-, methyl ester, Propanoic acid, 2-hydroxy-2-methyl-, methyl ester, AI3-09121, alpha-Hydroxy-isobutyric acid, methyl ester, Lactic acid, 2-methyl-, methyl ester (8CI), H-6410

Molecular Formula: C5H10O3Molecular Weight: 118.131100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XYVQFUJDGOBPQI-UHFFFAOYSA-N

• Methyl 3-formylindole-6-carboxylate
IUPAC Name: methyl 3-formyl-1H-indole-6-carboxylate | CAS Registry Number: 133831-28-4
Synonyms: ZINC00153775, CID735867, SBB003516, F-7295

Molecular Formula: C11H9NO3Molecular Weight: 203.194060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KRDRROJESQUFMJ-UHFFFAOYSA-N

• Methyl 3-Methyl-4-Nitrobenzoate
IUPAC Name: methyl 3-methyl-4-nitrobenzoate | CAS Registry Number: 24078-21-5
Synonyms: NSC92763, m-Toluic acid, 4-nitro-, methyl ester, ZINC00153316, Benzoic acid, 3-methyl-4-nitro-, methyl ester, ST5407166, TL8001986, Benzoic acid, 3-methyl-4-nitro, methyl ester

Molecular Formula: C9H9NO4Molecular Weight: 195.172060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: IEFONJKJLZFGKQ-UHFFFAOYSA-N

• Methyl Isobutyrylacetate
IUPAC Name: methyl 4-methyl-3-oxopentanoate | CAS Registry Number: 42558-54-3
Synonyms: Methyl isobutyrylacetate, methyl 4-methyl-3-oxopentanoate, Methyl 4-methyl-3-oxovalerate, Iso-butyryl methyl acetate, 4-Methyl-3-oxovaleric Acid Methyl Ester, IBEM, AG-F-51342, ZINC02389939, AC1MC1MD, ACMC-209jq9, KSC237G2D, 10900_ALDRICH, 10900_FLUKA, CTK1D7321, MolPort-000-157-374, Isobutyrylacetic Acid Methyl Ester, ANW-29839, SBB086341, AKOS000120602, Methyl 4-methyl-3-oxovalerate;IBEM;

Molecular Formula: C7H12O3Molecular Weight: 144.168380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HNNFDXWDCFCVDM-UHFFFAOYSA-N

• Methyl Toluene Sulphonate (Ortho/Para)
IUPAC Name: methyl 4-methylbenzenesulfonate | CAS Registry Number: 80-48-8
Synonyms: Methyl tosylate, Methyl p-tosylate, Methyl toluenesulfonate, Methyl p-toluenesulfonate, Methyl-p-toluenesulfonate, Methyl toluene sulfonate, Methyl toluene-4-sulfonate, Methyl 4-methylbenzenesulfonate, Methyl 4-toluene sulfonate, Methyl toluene-4-sulphonate, p-Toluenesulfonic acid, methyl ester, WLN: 1OSWR D1, HSDB 2025, o-Toluenesulfonic acid, methyl ester, p-Methylbenzenesulfonate methyl ester, 158992_ALDRICH, CCRIS 9151, 89800_FLUKA, EINECS 201-283-5, p-Toluolsulfonsaeure methyl ester

Molecular Formula: C8H10O3SMolecular Weight: 186.228200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VUQUOGPMUUJORT-UHFFFAOYSA-N

• Methylthiomethylphenol
IUPAC Name: 3-methyl-4-methylsulfanylphenol | CAS Registry Number: 3120-74-9
Synonyms: MMTP, 4-(Methylthio)-m-cresol, MTMC, USAF MA-17, 3-Methyl-4-(methylthio)phenol, 4-(Methylthio)-3-methylphenol, 3-Methyl-4-(1-methylthio)phenol, m-CRESOL, 4-(METHYLTHIO)-, Phenol, 3-methyl-4-(methylthio)-, 4-(methylsulfanyl)-m-cresol, WLN: QR C1 DS1, 673145_ALDRICH, 3-Methyl-4-(methylthio) phenol, CHEBI:38681, EINECS 221-496-7, NSC 87560, 3-Methyl-4-(methylsulfanyl)phenol, NSC87560, BRN 1210322, ZINC00394793

Molecular Formula: C8H10OSMolecular Weight: 154.229400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VKALYYFVKBXHTF-UHFFFAOYSA-N

• Monoglyme-Ethylene Glycol Dimethyl Ether
IUPAC Name: 1,2-dimethoxyethane | CAS Registry Number: 110-71-4
Synonyms: Monoglyme, Glyme, Egdme, 2,5-Dioxahexane, Dimethyl Cellosolve, 1,2-DIMETHOXYETHANE, Dimethoxyethane, Dimethylglycol, Dimethylcellosolve, Ethane, 1,2-dimethoxy-, Hisolve MMM, mono-Glyme, Glycol dimethyl ether, Ansul ether 121, Ethylene dimethyl ether, DME (glycol ether), Ethylene glycol dimethyl ether, 1,2-Dimethoxyethan, Ethylenglycoldimethylether, Ethylenglykoldimethylether

Molecular Formula: C4H10O2Molecular Weight: 90.121000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XTHFKEDIFFGKHM-UHFFFAOYSA-N

• N-(2-Hydroxyethyl)-N'-2-Propen-1-Yl-Thiourea
IUPAC Name: 1-(2-hydroxyethyl)-3-prop-2-enylthiourea | CAS Registry Number: 105-81-7
Synonyms: Maybridge1_007075, 1-Allyl-3-(2-hydroxyethyl)-2-thiourea, MLS000736772, NSC70444, EINECS 203-334-7, 1-Allyl-3-(2-hydroxyethyl)thiourea, MolPort-001-495-605, NSC 70444, BRN 1766401, N-Allyl-N'-(beta-hydroxyethyl)thiourea, ZINC13597232, N-(2-Hydroxyethyl)-N'-allylthiourea, Urea, 1-allyl-3-(2-hydroxyethyl)-2-thio-, 1-Allyl-3-(2-hydroxyethyl) thiourea, AI3-51115, CID2735273, N-(2-Hydroxyethyl)-N'-2-propenylthiourea, Thiourea, N-(2-hydroxyethyl)-N'-2-propenyl-, N-Allyl-N'-(beta-hydroxyethyl) thiourea, SMR000528319

Molecular Formula: C6H12N2OSMolecular Weight: 160.237280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 1

InChIKey: VUVPNTYTOUGMDG-UHFFFAOYSA-N

• N-(4-Methoxyphenyl)phenylamine
IUPAC Name: 4-methoxy-N-phenylaniline | CAS Registry Number: 1208-86-2
Synonyms: N-Phenyl-p-anisidine, 4-methoxy-N-phenylaniline, Oprea1_627634, NSC31630, (4-Methoxy-phenyl)-phenyl-amine, Benzenamine, 4-methoxy-N-phenyl-, CID14581, EINECS 214-902-9, 4-METHOXY-N-PHENYLBENZENAMINE, ZINC16978792

Molecular Formula: C13H13NOMolecular Weight: 199.248420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OBHGSIGHEBGGFS-UHFFFAOYSA-N

• N-[4-cyano-3-(trifluoromethyl)phenyl]-2- Methyl-2-oxiranecarboxamide
IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide | CAS Registry Number: 90357-51-0
Synonyms: N-(4-cyano-3-(trifluoromethyl)phenyl)-2-methyloxirane-2-carboxamide, N-[4-Cyano-3-(trifluoromethyl)phenyl]methacrylamideepoxide, 4-Cyano-N-(2,3-epoxy-2-methylpropionyl)-3-trifluoromethylaniline, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide, PubChem13753, CTK7C8181, MolPort-003-987-413, ANW-46088, SBB067010, AKOS015900542, AC-1069, AG-A-74560, BD23063, LS10139, AK-44139, TL8005815, AM20041370, A10788, I14-0484

Molecular Formula: C12H9F3N2O2Molecular Weight: 270.207270 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: UQUQTWDUTIAAAY-UHFFFAOYSA-N

• N-Butyl Chloride
IUPAC Name: 1-chlorobutane | CAS Registry Number: 109-69-3
Synonyms: 1-Chlorobutane, Butyl chloride, Butane, 1-chloro-, Sure Shot, N-BUTYL CHLORIDE, NBC wormer, Chlorobutane, 1-, Chlorure de butyle, N-Propylcarbinyl chloride, sJPHADIJuP@, 1-CHLORO-BUTANE, Chlorure de butyle [French], CCRIS 1389, NCI-C06155, WLN: G4, HSDB 4167, 125008_ALDRICH, 414255_ALDRICH, 496170_ALDRICH, NSC 8419

Molecular Formula: C4H9ClMolecular Weight: 92.567260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: VFWCMGCRMGJXDK-UHFFFAOYSA-N

• N-Ethyl Piperazine
IUPAC Name: 1-ethylpiperazine | CAS Registry Number: 5308-25-8
Synonyms: 1-Ethylpiperazine, N-Ethylpiperazine, Piperazine, 1-ethyl-, 415308_ALDRICH, EINECS 226-166-6, NSC60707, SBB006719, LS-112626, TL8003488, InChI=1/C6H14N2/c1-2-8-5-3-7-4-6-8/h7H,2-6H2,1H

Molecular Formula: C6H14N2Molecular Weight: 114.188760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WGCYRFWNGRMRJA-UHFFFAOYSA-N

• N-Methylmorpholine
IUPAC Name: 4-methylmorpholine | CAS Registry Number: 109-02-4
Synonyms: 4-Methylmorpholine, Morpholine, 4-methyl-, Methylmorpholine, 1-Methylmorpholine, N-METHYLMORPHOLINE, Morpholine, N-methyl-, 4-Methylmorfolin [Czech], CCRIS 6691, WLN: T6N DOTJ A1, 407704_ALDRICH, NSC 9382, 67869_FLUKA, EINECS 203-640-0, M56557_SIAL, N-methyl morpholine hydrochloride, NSC9382, UN2535, AIDS230599, AIDS-230599, AI3-24289

Molecular Formula: C5H11NOMolecular Weight: 101.146940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SJRJJKPEHAURKC-UHFFFAOYSA-N

• N-Methylpyrrolidone
IUPAC Name: 1-methylpyrrolidin-2-one | CAS Registry Number: 872-50-4
Synonyms: M-Pyrol, Methylpyrrolidone, 1-Methylpyrrolidinone, 1-Methylpyrrolidone, N-Methyl-2-pyrrolidone, 2-Pyrrolidinone, 1-methyl-, 1-Methyl-2-pyrrolidone, N-Methylpyrrolidinone, 1-METHYL-2-PYRROLIDINONE, N-Methyl-2-pyrrolidinone, Methylpyrrolidinone, 1-methylpyrrolidin-2-one, 1-Methyl-5-pyrrolidinone, Methylpyrrolidone, N-, 1-Methylazacyclopentan-2-one, Methyl-2-pyrrolidinone, N-Methyl-gamma-butyrolactam, Pyrrolidinone, methyl-, 2-Pyrrolidinone, methyl-, Norleucine, 5-oxo-, DL-

Molecular Formula: C5H9NOMolecular Weight: 99.131060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SECXISVLQFMRJM-UHFFFAOYSA-N

• n-Propyl Iodide
IUPAC Name: 2-iodopropane | CAS Registry Number: 107-08-4
Synonyms: Isopropyl iodide, n-Propyl iodide, Propane, 2-iodo-, Propyl iodide, 2-Propyl iodide, sec-Propyl iodide, 2-IODOPROPANE, Propane, 1-iodo-, 1-Jodpropan [Czech], 2-Jodpropan [Czech], 1-IODOPROPANE, 2-IODO-PROPANE, CCRIS 542, 148938_ALDRICH, 59540_FLUKA, EINECS 200-859-3, EINECS 203-460-2, CID6362, AI3-28594, AI3-28595

Molecular Formula: C3H7IMolecular Weight: 169.992150 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FMKOJHQHASLBPH-UHFFFAOYSA-N

• N-Vinyl Pyrrolidone (NVP)
IUPAC Name: 1-ethenylpyrrolidin-2-one | CAS Registry Number: 88-12-0
Synonyms: Pvpp, Polyvidone, Povidone, Vinylpyrrolidone, Vinylbutyrolactam, Crospovidone, Neocompensan, Hemodesis, Kollidon, Luviskol, Periston, Peviston, Plasdone, Plasmosan, Protagent, Subtosan, Bolinan, Hemodez, Polygyl, Sauflon

Molecular Formula: C6H9NOMolecular Weight: 111.141760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WHNWPMSKXPGLAX-UHFFFAOYSA-N

• Nicardipine hydrochloride
IUPAC Name: 3-O-[2-[benzyl(methyl)amino]ethyl] 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride | CAS Registry Number: 54527-84-3
Synonyms: Cardene, Perdipine, Nicodel, Loxen, Angioglebil, Bionicard, Nicardil, Perdipina, Lincil, Dafil, Dagan, Antagonil, Nerdipine, Perpidine, Nicardipine HCl, NICARDIPINE HYDROCHLORIDE, Cardene SR, Prestwick_590, Cardene (TN), MLS000069782

Molecular Formula: C26H30ClN3O6Molecular Weight: 515.985900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: AIKVCUNQWYTVTO-UHFFFAOYSA-N

• Nitrophenide
IUPAC Name: 1-nitro-3-(3-nitrophenyl)disulfanylbenzene | CAS Registry Number: 537-91-7
Synonyms: Hinagen, Megasul, NITROPHENIDE, Megasul (VAN), Bis(3-nitrophenyl) disulfide, Disulfide, bis(3-nitrophenyl), Bis(m-nitrophenyl) disulfide, 3-Nitrophenyl disulfide, m,m'-Dinitrodiphenyl disulfide, Disulfide, bis(m-nitrophenyl), 3,3'-Dinitrodiphenyl disulfide, N21006_ALDRICH, Bis(3-nitrophenyl) disulphide, NSC42172, NSC66160, 3,3'-Dinitro diphenyl disulfide, NSC655043, AIDS155387, AIDS159903, AIDS-155387

Molecular Formula: C12H8N2O4S2Molecular Weight: 308.332920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ODOFDWDUSSFUMN-UHFFFAOYSA-N

• O-Chlorothiophenol
IUPAC Name: 2-chlorobenzenethiol | CAS Registry Number: 6320-03-2
Synonyms: 2-Chlorothiophenol, o-Chlorothiophenol, 2-Chlorobenzenethiol, o-Chlorobenzenethiol, Benzenethiol, 2-chloro-, Benzenethiol, o-chloro-, o-Chloromercaptobenzene, 247146_ALDRICH, Benzenethiol, o-chloro- (8CI), NSC32019, EINECS 228-667-5, NSC 32019, SL-00487

Molecular Formula: C6H5ClSMolecular Weight: 144.621900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PWOBDMNCYMQTCE-UHFFFAOYSA-N

• O-Diaminobenzene
IUPAC Name: benzene-1,2-diamine | CAS Registry Number: 95-54-5
Synonyms: 1,2-Benzenediamine, O-PHENYLENEDIAMINE, Orthamine, 2-Aminoaniline, o-Benzenediamine, o-Diaminobenzene, 1,2-Diaminobenzene, 1,2-Phenylenediamine, OPDA, PODA, o-Phenylene diamine, benzene-1,2-diamine, 2-Phenylene diamine, 2-aminophenylamine, CI Oxidation Base 16, Phenylenediamine, ortho-, o-Fenylendiamin [Czech], C.I. Oxidation Base 16, phenylene-1,2-dimaine, 1,2-Fenylendiamin [Czech]

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GEYOCULIXLDCMW-UHFFFAOYSA-N

• O-Dibromobenzene
IUPAC Name: 1,2-dibromobenzene | CAS Registry Number: 583-53-9
Synonyms: o-Dibromobenzene, Benzene, o-dibromo-, Benzene, 1,2-dibromo-, 1,2-DIBROMOBENZENE, Benzene, dibromo-, DIBROMOBENZENE, ortho-Dibromobenzene, BENZENE,1,2-DIBROMO, D39002_ALDRICH, Benzene, o-dibromo- (8CI), 33971_FLUKA, CHEBI:37152, EINECS 209-507-3, EINECS 247-544-7, NSC 60643, UN2711, CID11414, NSC60643, AI3-10009, LS-29658

Molecular Formula: C6H4Br2Molecular Weight: 235.903960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WQONPSCCEXUXTQ-UHFFFAOYSA-N

• O-Ethyl-Aniline
IUPAC Name: 2-ethylaniline | CAS Registry Number: 578-54-1
Synonyms: o-Ethylaniline, Aniline, o-ethyl-, 2-ETHYLANILINE, Benzenamine, 2-ethyl-, 2-Ethylbenzenamine, o-Aminoethylbenzene, 2-Ethyl aniline, Aniline, 2-ethyl-, CCRIS 2858, WLN: ZR B2, Aniline, o-ethyl- (8CI), E11803_ALDRICH, HSDB 5698, 03060_FLUKA, EINECS 209-424-2, BENZENE,1-AMINO,2-ETHYL, NSC 62014, UN2273, NSC62014, BRN 1841268

Molecular Formula: C8H11NMolecular Weight: 121.179640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MLPVBIWIRCKMJV-UHFFFAOYSA-N

• o-Fluorophenol
IUPAC Name: 2-fluorophenol | CAS Registry Number: 367-12-4
Synonyms: Phenol, 2-fluoro-, Phenol, o-fluoro-, 2-FLUOROPHENOL, Phenol, fluoro-, 1-Fluoro-2-hydroxybenzene, CCRIS 1226, F12804_ALDRICH, 442350_SUPELCO, EINECS 206-681-2, NSC 10294, NSC10294, BRN 1905112, ZINC00164476, SB 00849, LS-104663, TL8002705, 4-06-00-00770 (Beilstein Handbook Reference), InChI=1/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8, 69481-43-2, FP2

Molecular Formula: C6H5FOMolecular Weight: 112.101703 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HFHFGHLXUCOHLN-UHFFFAOYSA-N

• O-Methoxythiophenol
IUPAC Name: 2-methoxybenzenethiol | CAS Registry Number: 7217-59-6
Synonyms: Thioguaiacol, 2-Methoxybenzenethiol, 2-Methoxythiophenol, 2-Mercaptoanisole, o-Methoxybenzenethiol, o-Methoxythiophenol, Benzenethiol, 2-methoxy-, 2-Methoxy thiophenol, BENZENETHIOL, o-METHOXY-, 184055_ALDRICH, 65358_FLUKA, EINECS 230-605-7, BRN 2042178, LS-32192, TL8006750, Y11036, 4-06-00-05633 (Beilstein Handbook Reference)

Molecular Formula: C7H8OSMolecular Weight: 140.202820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DSCJETUEDFKYGN-UHFFFAOYSA-N

• O-Nitro Benzoic Acid
IUPAC Name: 2-nitrobenzoic acid | CAS Registry Number: 552-16-9
Synonyms: o-Nitrobenzoic acid, 2-NITROBENZOIC ACID, Benzoic acid, 2-nitro-, o-Nitrobenzoate, o-Carboxynitrobenzene, Benzoic acid, o-nitro-, 2-nitrobenzoicacid, CCRIS 2334, Oprea1_474365, 127698_ALDRICH, NSC 9576, 72895_FLUKA, CHEBI:25620, EINECS 209-004-9, NSC9576, CID11087, AI3-08821, LS-1360, NCGC00091364-01, ST5186531

Molecular Formula: C7H5NO4Molecular Weight: 167.118900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: SLAMLWHELXOEJZ-UHFFFAOYSA-N

• o-Nitrophenol
IUPAC Name: 2-nitrophenol | CAS Registry Number: 88-75-5
Synonyms: 2-NITROPHENOL, Phenol, 2-nitro-, Phenol, o-nitro-, o-Hydroxynitrobenzene, 2-Hydroxynitrobenzene, ortho-nitrophenol, o-Nitrofenol [Czech], o-Nitrophenol (molten), WLN: WNR BQ, 2-nitrophenol, sodium salt, CCRIS 2314, 2-nitrophenol, ammonium salt, N19702_ALDRICH, HSDB 1133, 48548_SUPELCO, NChemBio.2007.4-comp14, 33444_RIEDEL, 35966_RIEDEL, ARONIS020854, NSC 1552

Molecular Formula: C6H5NO3Molecular Weight: 139.108800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IQUPABOKLQSFBK-UHFFFAOYSA-N


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