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Beckmann-Kenko GmbH

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Profile: Beckmann-Kenko GmbH deals with fine and specialty chemicals. Our products include acetamidine hcl, 3'-acetamidoacetophenone, acetoacet-2,5-dimethoxy-4-chloroanilide, alpha-acetoxyisobutyryl bromide, acetylacetone, aleuritic acid, allylcyanide, aluminumbromide, 4-aminoacetophenone, amino acids, 2-aminobenzylalcohol and 4-amino-1-benzylpiperidine.

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• 2-Methoxyacetobenzylcyanide (CAS: 100-88-3)
• 2,3,5-Trimethyl Hydroquinone
IUPAC Name: 2,3,5-trimethylbenzene-1,4-diol | CAS Registry Number: 700-13-0
Synonyms: Trimethylhydroquinone, Pseudocumohydroquinone, psi-Cumohydroquinone, .psi.-Cumohydroquinone, TMHYDROP, 2,3,5-Trimethylquinol, 2,3,5-Trimethylhydroquinone, 2,3,6-Trimethylhydroquinone, 1,4-Benzenediol, 2,3,5-trimethyl-, 3,6-Dihydroxypseudocumene, HYDROQUINONE, TRIMETHYL-, Trimethyhydroquinone polymer, 2,3,5-Trimethyl-1,4-benzenediol, T76503_ALDRICH, ARONIS003967, EINECS 211-838-3, AIDS220862, AIDS220869, NSC 401617, 2,3,5-trimethylbenzene-1,4-diol

Molecular Formula: C9H12O2Molecular Weight: 152.190380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: AUFZRCJENRSRLY-UHFFFAOYSA-N

• 2,2-Dichlorodiethyl Ether
IUPAC Name: 1-chloro-2-(2-chloroethoxy)ethane | CAS Registry Number: 111-44-4
Synonyms: Dichloroether, Khloreks, Chlorex, Clorex, Chloroethyl ether, 2-Chloroethyl ether, Dichloroethyl ether, Dichloroethyl oxide, Ether dichlore, Bis(2-chloroethyl)ether, DCEE, Dicholoroethyl ether, sym-Dichloroethyl ether, BCEE, s-Dichloroethyl ether, 2,2'-Dichlorethyl ether, Caswell No. 309, Bis-2-chloroethylether, Di(2-chloroethyl) ether, BIS(2-CHLOROETHYL) ETHER

Molecular Formula: C4H8Cl2OMolecular Weight: 143.011720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZNSMNVMLTJELDZ-UHFFFAOYSA-N

• 3-Chloropyridine
IUPAC Name: 3-chloropyridine | CAS Registry Number: 626-60-8
Synonyms: m-Chloropyridine, Pyridine, 3-chloro-, 3-CHLOROPYRIDINE, WLN: T6NJ CG, CCRIS 1715, C70002_ALDRICH, EINECS 210-955-7, NSC 60200, NSC60200, BRN 0105744, ZINC00404335, LS-131066, TL8004228, 5-20-05-00406 (Beilstein Handbook Reference), InChI=1/C5H4ClN/c6-5-2-1-3-7-4-5/h1-4

Molecular Formula: C5H4ClNMolecular Weight: 113.544960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PWRBCZZQRRPXAB-UHFFFAOYSA-N

• 2,7-Dihydroxy Naphthalene
IUPAC Name: naphthalene-2,7-diol | CAS Registry Number: 582-17-2
Synonyms: 2,7-Naphthalenediol, Naphthalene-2,7-diol, 2,7-DIHYDROXYNAPHTHALENE, CI 76645, Naphthalenediol-2,7 [French], D116408_ALDRICH, NSC 407541, 37781_FLUKA, EINECS 209-478-7, AIDS017777, 2,7-Naphthalenediol (8CI,9CI), C.I. 76645, AIDS-017777, BRN 2042383, NSC407541, ZINC00388554, LS-94572, ST5406389, 4-06-00-06570 (Beilstein Handbook Reference)

Molecular Formula: C10H8O2Molecular Weight: 160.169320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DFQICHCWIIJABH-UHFFFAOYSA-N

• 10-Undecenoic acid
IUPAC Name: undec-10-enoic acid | CAS Registry Number: 112-38-9
Synonyms: undecylenic acid, Renselin, Desenex, Sevinon, Declid, Undecenoic acid, 10-UNDECENOIC ACID, 10-Hendecenoic acid, 9-Undecylenic acid, Desenex solution, Cruex, Mixture Name, 10-Undecylenic acid, Undec-10-enoic acid, 10-Hendecenoic, Desenex, solution, Undecyl-10-enic acid, 1-Undecenoic acid, Caswell No. 901, Fulvidex (Veterinary)

Molecular Formula: C11H20O2Molecular Weight: 184.275300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FRPZMMHWLSIFAZ-UHFFFAOYSA-N

• 6-Chloro-4-Nitro-2-aminophenol
IUPAC Name: 2-amino-6-chloro-4-nitrophenol | CAS Registry Number: 6358-09-4
Synonyms: 6-Chloro-4-nitro-2-aminophenol, ZERO/005154, EINECS 228-762-1, Phenol, 2-amino-6-chloro-4-nitro-, 2-AMINO-6-CHLORO-4-NITROPHENOL, CID4679699, LS-103884, 62625-14-3

Molecular Formula: C6H5ClN2O3Molecular Weight: 188.568500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: TWLMSPNQBKSXOP-UHFFFAOYSA-N

• 2-Amino Benzyl Alcohol
IUPAC Name: (2-aminophenyl)methanol | CAS Registry Number: 5344-90-1
Synonyms: 2-Aminobenzyl alcohol, o-Aminobenzyl alcohol, Isatoic anhydride, 1bio, o-Aminobenzylic alcohol, 2-Aminobenzenemethanol, o-(Hydroxymethyl)aniline, (2-Aminophenyl)methanol, Benzenemethanol, 2-amino-, BENZYL ALCOHOL, o-AMINO-, 2-(Hydroxymethyl)aniline, WLN: ZR B1Q, Oprea1_783408, 122831_ALDRICH, NSC 1173, 07093_FLUKA, EINECS 226-293-7, NSC1173, BRN 1072211, STK077953

Molecular Formula: C7H9NOMolecular Weight: 123.152460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VYFOAVADNIHPTR-UHFFFAOYSA-N

• 3,7-Dimethyloct-7-Ene-1,6-Diol
IUPAC Name: 3,7-dimethyloct-7-ene-1,6-diol | CAS Registry Number: 22460-95-3
Synonyms: EINECS 245-015-5, CID90790, 3,7-Dimethyloct-7-ene-1,6-diol, 7-Octene-1,6-diol, 3,7-dimethyl-, 22626-42-2

Molecular Formula: C10H20O2Molecular Weight: 172.264600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HWNJNAUJFVQJRV-UHFFFAOYSA-N

• 5-Aminosalicylic Acid
IUPAC Name: 5-amino-2-hydroxybenzoic acid | CAS Registry Number: 89-57-6
Synonyms: mesalamine, Mesalazine, Pentasa, 5-Aminosalicylic acid, Asacol, Rowasa, Claversal, Salofalk, Canasa, Lialda, Mesalazina, Mesalazinum, Mesavance, Mezavant, m-Aminosalicylic acid, Mesasal, Apriso, Iialda, 5-Aminosalicylate, Mesalazine MMX

Molecular Formula: C7H7NO3Molecular Weight: 153.135380 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: KBOPZPXVLCULAV-UHFFFAOYSA-N

• 2,6-Difluorobenzamide
IUPAC Name: 2,6-difluorobenzamide | CAS Registry Number: 18063-03-1
Synonyms: Benzamide, 2,6-difluoro-, Ambap1714, 282278_ALDRICH, EINECS 241-972-8, ZINC00152949, CID87439, JRD-0429, LS-26492, TL8001442, InChI=1/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11

Molecular Formula: C7H5F2NOMolecular Weight: 157.117506 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AVRQBXVUUXHRMY-UHFFFAOYSA-N

• 4-Hydroxy-2-butanone
IUPAC Name: 4-hydroxybutan-2-one | CAS Registry Number: 590-90-9
Synonyms: Methylolacetone, 3-Oxobutanol, Monomethylolacetone, 2-Butanone, 4-hydroxy-, 3-Oxo-1-butanol, 4-Butanol-2-one, 3-Ketobutan-1-ol, 4-Hydroxybutan-2-one, 3-hydroxy-2-butanone, Ambap2098, 1d7j, CH3C(O)CH2CH2OH, 2-Hydroxyethyl methyl ketone, ghl.PD_Mitscher_leg0.412, Ketones, C4-6, beta-hydroxy, 252557_ALDRICH, NSC41219, EINECS 209-693-6, CID111509, NSC 41219

Molecular Formula: C4H8O2Molecular Weight: 88.105120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LVSQXDHWDCMMRJ-UHFFFAOYSA-N

• 2-Cyano Phenol
IUPAC Name: 2-hydroxybenzonitrile | CAS Registry Number: 611-20-1
Synonyms: Salicylonitrile, o-Cyanophenol, Salicylnitrile, 2-Cyanophenol, 2-Hydroxybenzonitrile, o-Hydoxybenzonitrile, Benzonitrile, 2-hydroxy-, o-Hydroxybenzonitrile, O-CYCANOPHENOL, Benzonitrile, o-hydroxy-, Benzonitrile, hydroxy-, 141038_ALDRICH, AIDS018402, AIDS-018402, NSC53558, EINECS 210-259-3, NSC 53558, SBB007959, ZINC00388252, FR-0652

Molecular Formula: C7H5NOMolecular Weight: 119.120700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CHZCERSEMVWNHL-UHFFFAOYSA-N

• 4-Tolunitrile
IUPAC Name: 4-methylbenzonitrile | CAS Registry Number: 104-85-8
Synonyms: p-Tolunitrile, p-Cyanotoluene, p-Toluonitrile, p-Tolylnitrile, p-Toluenenitrile, 4-Cyanotoluene, p-Toluic nitrile, p-Methylbenzonitrile, Benzonitrile, 4-methyl-, 4-METHYLBENZONITRILE, p-Tolunitril, 4-Methylcyanobenzene, p-Tolunitril [Czech], 1-Methyl-4-cyanobenzene, 4-Toluenkarbonitril [Czech], Nitril kyseliny p-toluylove, WLN: NCR D1, CCRIS 4737, 132330_ALDRICH, EINECS 203-244-8

Molecular Formula: C8H7NMolecular Weight: 117.147880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VCZNNAKNUVJVGX-UHFFFAOYSA-N

• 3-Methyl-4-NitroBenzoic Acid
IUPAC Name: 3-methyl-4-nitrobenzoic acid | CAS Registry Number: 3113-71-1
Synonyms: 3-Methyl-4-nitrobenzoic acid, 4-Nitro-m-toluic acid, m-Toluic acid, 4-nitro-, Benzoic acid, 3-methyl-4-nitro-, M60600_ALDRICH, MLS002152884, TPC-B002, TPC-I001, EINECS 221-479-4, NSC 28455, NSC28455, 3-METHYL-4-NITRO-BENZOIC ACID, LS-1170, NCGC00091302-01, SB 01931, SMR001224497, ST5406139, TL8002381, M-4215

Molecular Formula: C8H7NO4Molecular Weight: 181.145480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XDTTUTIFWDAMIX-UHFFFAOYSA-N

• 4,6-Dichloro-5-AminoPyrimidine
IUPAC Name: 4,6-dichloropyrimidin-5-amine | CAS Registry Number: 5413-85-4
Synonyms: 5-Amino-4,6-dichloropyrimidine, 5-Pyrimidinamine, 4,6-dichloro-, 4,6-Dichloropyrimidin-5-ylamine, 4,6-Dichloro-5-aminopyrimidine, NSC7851, 217735_ALDRICH, 07690_FLUKA, Pyrimidine, 5-amino-4,6-dichloro-, CID79434, NSC 7851, EINECS 226-503-7, SBB003920, ZINC01581331, AI3-52090, TL80073606, AB-323/25048131, 6045-36-9

Molecular Formula: C4H3Cl2N3Molecular Weight: 163.992720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NIGDWBHWHVHOAD-UHFFFAOYSA-N

• 2-Acetoxyisobutyryl Bromide
IUPAC Name: (1-bromo-2-methyl-1-oxopropan-2-yl) acetate | CAS Registry Number: 40635-67-4
Synonyms: 2-Acetoxyisobutyryl bromide, 2-Acetoxy-2-methylpropionyl bromide, 1-Bromocarbonyl-1-methylethyl acetate, alpha-Acetoxy-isobutyryl bromide, ZINC02390035, AIBB, PubChem17437, ACMC-20ao6e, AC1MC5IQ, |A-Acetoxyisobutyryl bromide, |A-Acetoxy-isobutyryl bromide, alpha-Acetoxyisobutyryl bromide, 364878_ALDRICH, -ACETOXYISOBUTYRYL BROMIDE, CTK3J3983, A-ACETOXYISOBUTYRYL BROMIDE, ACETOXYISOBUTYRIC ACID BROMIDE, AKOS015900486, JC10156, KB-166805

Molecular Formula: C6H9BrO3Molecular Weight: 209.037860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OOKAXSHFTDPZHP-UHFFFAOYSA-N

• 2,4-Dihydroxybenzoic acid
IUPAC Name: 2,4-dihydroxybenzoic acid | CAS Registry Number: 89-86-1
Synonyms: beta-Resorcylic acid, 2,4-dihydroxybenzoic acid, 4-Carboxyresorcinol, p-Hydroxysalicylic acid, .beta.-Resorcylic acid, 4-Hydroxysalicylic acid, beta-Resorcinolic acid, Benzoic acid, 2,4-dihydroxy-, 2,4-Dhba, RESORCYLIC ACID, BETA, .beta.-Resorcinolic acid, Oprea1_259729, MLS001055408, D109401_ALDRICH, W379808_ALDRICH, 37530_FLUKA, EINECS 201-946-9, CID1491, NSC4740, NSC 13564

Molecular Formula: C7H6O4Molecular Weight: 154.120140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: UIAFKZKHHVMJGS-UHFFFAOYSA-N

• 4,4-Dichloro Diphenyl Sulphone
IUPAC Name: 1-chloro-4-(4-chlorophenyl)sulfonylbenzene | CAS Registry Number: 80-07-9
Synonyms: 4-Chlorophenyl sulfone, Sulfone, bis(p-chlorophenyl), p,p'-Dichlorodiphenyl sulfone, p-Chlorophenyl sulfone, Bis(4-chlorophenyl) sulfone, Bis(p-chlorophenyl) sulfone, Di-p-chlorophenyl sulfone, Ambap5738, WLN: GR DSWR DG, Bis(4-chlorophenyl) sulphone, 1,1'-Sulfonylbis(4-chlorobenzene), Benzene, 1,1'-sulfonylbis[4-chloro-, 4,4'-Dichlorodiphenyl sulphone, 4,4'-Dichlorodiphenylsulfone, 4,4'-Dichlorophenyl sulfone, 4,4'-DICHLORODIPHENYL SULFONE, HSDB 5233, MLS001065613, 151378_ALDRICH, 35805_FLUKA

Molecular Formula: C12H8Cl2O2SMolecular Weight: 287.161720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GPAPPPVRLPGFEQ-UHFFFAOYSA-N

• 2-Octyl-3-isothiazolone
IUPAC Name: 2-octyl-1,2-thiazol-3-one | CAS Registry Number: 26530-20-1
Synonyms: Octhilinone, Pancil, Micro-chek skane, Pancil-T, Kathon LM, Microbicide M-8, Micro-chek 11, Micro-chek 11D, Skane 8, Skane M8, Skane M-8, Kathon 893, Kathon 893F, Kathon SP 70, Kathon LP preservative, Caswell No. 613C, Kathon 4200, Vinylzene IT 3000DIDP, 2-Octyl-3(2H)-isothiazolone, 2-Octyl-4-isothiazolin-3-one

Molecular Formula: C11H19NOSMolecular Weight: 213.339660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JPMIIZHYYWMHDT-UHFFFAOYSA-N

• 2-Ethoxybenzoic Acid
IUPAC Name: 2-ethoxybenzoic acid | CAS Registry Number: 134-11-2
Synonyms: 2-Ethoxybenzoic acid, o-Ethoxybenzoic acid, Benzoic acid, 2-ethoxy-, Benzoic acid, o-ethoxy-, O-Ethylsalicylic acid, 147494_ALDRICH, ARONIS009857, Benzoic acid, o-ethoxy- (8CI), AIDS018081, AIDS-018081, EINECS 205-130-3, NSC406710, NSC 406710, AI3-06193, ST5406553, TL8007018, 6679-84-1, InChI=1/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XDZMPRGFOOFSBL-UHFFFAOYSA-N

• 4-Fluorobenzonitrile
IUPAC Name: 4-fluorobenzonitrile | CAS Registry Number: 1194-02-1
Synonyms: p-Fluorobenzonitrile, p-Cyanofluorobenzene, Benzonitrile, 4-fluoro-, BENZONITRILE, p-FLUORO-, NCIOpen2_001282, 139416_ALDRICH, EINECS 214-784-9, NSC 88330, BB_SC-4560, NSC88330, ZINC00164613, 4-FLUORO-BENZOIC ACID-NITRILE, F114, LS-38714, TL806118, InChI=1/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4

Molecular Formula: C7H4FNMolecular Weight: 121.111763 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AEKVBBNGWBBYLL-UHFFFAOYSA-N

• 3' Acetamidoacetophenone
IUPAC Name: N-(3-acetylphenyl)acetamide | CAS Registry Number: 7463-31-2
Synonyms: 3-Acetylacetanilide, 3'-Acetamidoacetophenone, 3-Acetamidoacetophenone, N-(3-acetylphenyl)acetamide, 00188_FLUKA, NSC404340, CID346202, SBB005777, ZINC00363261, TL806426, AN-652/41025152

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AFZTYHRVDOKRKV-UHFFFAOYSA-N

• 2-Ethyl-1,3-Cyclopentanedione
IUPAC Name: 2-ethyl-3-hydroxycyclopent-2-en-1-one | CAS Registry Number: 823-36-9
Synonyms: ZINC01845656, CID138610, 2-Cyclopenten-1-one,2-ethyl-3-hydroxy-, 2-Cyclopenten-1-one, 2-ethyl-3-hydroxy-, 5857-25-0

Molecular Formula: C7H10O2Molecular Weight: 126.153100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RDXQMMNEMFSXDO-UHFFFAOYSA-N

• 3-Aminopropyltriethoxysilane
IUPAC Name: 3-triethoxysilylpropan-1-amine | CAS Registry Number: 919-30-2
Synonyms: APTES, Silane amg-9, Silicone A-1100, Silane 1100, Nuca 1100, (3-Aminopropyl)triethoxysilane, 1-Propanamine, 3-(triethoxysilyl)-, AGM-9, Propylamine, 3-(triethoxysilyl)-, Triethoxy(3-aminopropyl)silane, gamma-Aminopropyltriethoxysilane, 3-Triethoxysilylpropylamine, 3-(Triethoxysilyl)-1-propanamine, AGM 9, NCIOpen2_007962, Uc-A 1100, Silane, (3-aminopropyl)triethoxy-, HSDB 5767, (gamma-Aminopropyl)triethoxysilane, Dow Corning product Z-6011

Molecular Formula: C9H23NO3SiMolecular Weight: 221.369320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WYTZZXDRDKSJID-UHFFFAOYSA-N

• 4-Hydroxybenzoic acid
IUPAC Name: 4-hydroxybenzoic acid | CAS Registry Number: 99-96-7
Synonyms: p-Hydroxybenzoic acid, 4-Carboxyphenol, p-Salicylic acid, 4-HYDROXYBENZOIC ACID, p-hydroxybenzoate, Paraben, 4-hydroxybenzoate, Benzoic acid, 4-hydroxy-, Benzoic acid, p-hydroxy-, 3pcc, 3pch, 4-Hydroxybenzoesaeure, Hydroxybenzoic acid, phenol derivative, 8, p-Oxybenzoesaure [German], Benzoic acid, p-hydroxy, Benzoic acid, 4-hydroxy, WLN: QVR DQ, CID135, Hydroxybenzenecarboxylic acid

Molecular Formula: C7H6O3Molecular Weight: 138.120740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FJKROLUGYXJWQN-UHFFFAOYSA-N

• 4-Tertiary Butyl Phenol
IUPAC Name: 4-tert-butylphenol | CAS Registry Number: 98-54-4
Synonyms: Butylphen, 4-tert-Butylphenol, p-tert-Butylphenol, p-t-Butyl phenol, 4-t-Butylphenol, Phenol, p-tert-butyl-, p-sec-Butylphenol, p-terc.Butylfenol, PTBP, Ucar butylphenol 4-T, Caswell No. 130E, 4-(1,1-Dimethylethyl)phenol, 2-TERT-BUTYLPHENOL, Phenol, p-(tert-butyl)-, 4-tertiary-butylphenol, Ambap5870, Phenol, 4-(1,1-dimethylethyl)-, p-terc.Butylfenol [Czech], para-tertiary-butylphenol, Ucar butylphenol 4-T flake

Molecular Formula: C10H14OMolecular Weight: 150.217560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QHPQWRBYOIRBIT-UHFFFAOYSA-N

• (-)-Carvone
IUPAC Name: (5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one | CAS Registry Number: 6485-40-1
Synonyms: Levo-carvone, l-Carvone, Carvol, (4R)-Carvone, CARVONE, (-)-(R)-Carvone, (R)-(-)-Carvone, (-)-(4R)-carvone, CARVONE-RIGHT (D), (−)-Carvone, p-Mentha-6,8-dien-2-one, W224901_ALDRICH, 124931_ALDRICH, (-)-p-Mentha-6,8-dien-2-one, 22057_FLUKA, 22060_FLUKA, CHEBI:15400, BB_NC-1762, (R)-(−)-Carvone, CPD-1089

Molecular Formula: C10H14OMolecular Weight: 150.217560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ULDHMXUKGWMISQ-SECBINFHSA-N

• 2-Phenylimidazole
IUPAC Name: 2-phenyl-1H-imidazole | CAS Registry Number: 670-96-2
Synonyms: Phenylimidazole, 2-Phenyl imidazole, 2-Phenyl-1H-imidazole, Imidazole, 2-phenyl-, 1H-Imidazole, 2-phenyl-, 226769_ALDRICH, Imidazole, 2-phenyl- (8CI), EINECS 211-581-7, NSC255226, SBB004131, ZINC00333848, NSC 255226, AI3-50034, TL8004735, 78232-99-2

Molecular Formula: C9H8N2Molecular Weight: 144.173220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZCUJYXPAKHMBAZ-UHFFFAOYSA-N

• 5-Nitroindole
IUPAC Name: 5-nitro-1H-indole | CAS Registry Number: 6146-52-7
Synonyms: 5-Nitro-1H-indole, 1H-Indole, 5-nitro-, INDOLE, 5-NITRO-, CCRIS 3255, Oprea1_492280, N17602_ALDRICH, EINECS 228-153-0, 1H-Indole, 5-nitro- (9CI), NSC520594, ZINC00105247, LS-83315, SB 01605, ST5406179, TL8003894, N-3000

Molecular Formula: C8H6N2O2Molecular Weight: 162.145440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OZFPSOBLQZPIAV-UHFFFAOYSA-N

• 4-Hydroxybenzyl cyanide
IUPAC Name: 2-(4-hydroxyphenyl)acetonitrile | CAS Registry Number: 14191-95-8
Synonyms: 4-Hydroxyphenylacetonitrile, p-Hydroxybenzyl cyanide, (4-Hydroxyphenyl)acetonitrile, p-Hydroxyphenylacetonitrile, PHBC, 4-Hydroxybenzeneacetonitrile, Benzeneacetonitrile, 4-hydroxy-, Acetonitrile, (p-hydroxyphenyl)-, 4-HYDROXYBENZYLCYANIDE, para-hydroxybenzylcyanide, C8H7NO, H21101_ALDRICH, 54874_FLUKA, CHEBI:16667, EINECS 238-046-0, NSC 76080, 4-Hydroxyphenylacetic acid nitrile, CPD-1074, NSC76080, BRN 1934470

Molecular Formula: C8H7NOMolecular Weight: 133.147280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AYKYOOPFBCOXSL-UHFFFAOYSA-N

• 1,3-Indandione
IUPAC Name: indene-1,3-dione | CAS Registry Number: 606-23-5
Synonyms: 1,3-INDANDIONE, 1,3-Indandion, 1,3-Diketohydrindene, Indan-1,3-dione, 1,3-Indanone, 1H-Indene-1,3(2H)-dione, 1,3-Dioxoindan, INDANEDIONE-1,3, I2002_ALDRICH, 45790_RIEDEL, NSC 6312, EINECS 210-109-7, NSC6312, NSC 26329, AIDS017987, AIDS-017987, NSC26329, BRN 1210061, STK202114, LS-81118

Molecular Formula: C9H6O2Molecular Weight: 146.142740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UHKAJLSKXBADFT-UHFFFAOYSA-N

• 2-Methylalanine
IUPAC Name: 2-amino-2-methylpropanoic acid | CAS Registry Number: 62-57-7
Synonyms: 2-Aminoisobutyric acid, Alanine, 2-methyl-, alpha-Methylalanine, Aminoisobutyric acid, 2,2-dimethylglycine, alpha,alpha-Dimethylglycine, alpha-Aminoisobutanoic acid, .alpha.-Methylalanine, 2-Aminoisobutyic acid, 2-Amino-2-methylpropanoic acid, ALPHA-AMINOISOBUTYRIC ACID, .alpha.-Aminoisobutanoic acid, .alpha.-Aminoisobutyrate, 2-Amino-2-methylpropanoate, 2-Amino-2-methylpropionic acid, .alpha.-Aminoisobutyric acid, Propionic acid, 2-amino-2-methyl-, WLN: ZX1&1&VQ, 850993_ALDRICH, .alpha.,.alpha.-Dimethylglycine

Molecular Formula: C4H9NO2Molecular Weight: 103.119760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FUOOLUPWFVMBKG-UHFFFAOYSA-N

• 1,3,5-Cyclohexanetriol
IUPAC Name: cyclohexane-1,3,5-triol | CAS Registry Number: 2041-15-8
Synonyms: Phloroglucitol, cis-Cyclohexane-1,3,5-Triol, NSC25143, LTBB004677, CID230351, ZINC00388461, TL8001693, 1,3,5-Cyclohexanetriol, (1.alpha.,3.alpha.,5.alpha.)-, InChI=1/C6H12O3/c7-4-1-5(8)3-6(9)2-4/h4-9H,1-3H, 6099-90-7

Molecular Formula: C6H12O3Molecular Weight: 132.157680 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: FSDSKERRNURGGO-UHFFFAOYSA-N

• 8-Hydroxyquinoline
IUPAC Name: quinolin-8-ol | CAS Registry Number: 148-24-3
Synonyms: Oxyquinoline, 8-quinolinol, Oxine, 8-HYDROXYQUINOLINE, Phenopyridine, Oxychinolin, Quinophenol, Bioquin, Tumex, Oxybenzopyridine, Oxin, quinolin-8-ol, 8-Oxyquinoline, 8-Quinol, 8-Hydroxychinolin, Fennosan, Albisal, Hydroxybenzopyridine, Fennosan H 30, Hydroxychinolin

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MCJGNVYPOGVAJF-UHFFFAOYSA-N

• 3-Iodopropynylbutylcarbamate
IUPAC Name: 3-iodoprop-2-ynyl N-butylcarbamate | CAS Registry Number: 55406-53-6
Synonyms: Woodlife, Ipbc, Troysan KK-108A, Caswell No. 501A, Iodopropynyl butylcarbamate, Troysan polyphase anti-mildew, 3-IPBC, HSDB 7314, 3-Iodo-2-propynyl butylcarbamate, 3-IODO-2-PROPYNYLBUTYLCARBAMATE, Butyl-3-iodo-2-propynylcarbamate, 521949_ALDRICH, 3-Iodo-2-propynyl butyl carbamate, EINECS 259-627-5, 3-iodo-2-propynyl-butylcarbamate, EPA Pesticide Chemical Code 107801, 3-Iodo-2-propynyl-N-butylcarbamate, BRN 2248232, 3-iodoprop-2-yn-1-yl butylcarbamate, Carbamic acid, butyl-, 3-iodo-2-propynyl ester

Molecular Formula: C8H12INO2Molecular Weight: 281.090850 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WYVVKGNFXHOCQV-UHFFFAOYSA-N

• 3-Hydroxybenzaldehyde
IUPAC Name: 3-hydroxybenzaldehyde | CAS Registry Number: 100-83-4
Synonyms: m-Formylphenol, 3-hydroxybenzaldehyde, 3-Formylphenol, m-Hydroxybenzaldehyde, Benzaldehyde, 3-hydroxy-, meta-Hydroxybenzaldehyde, Benzaldehyde, m-hydroxy-, 3-OH-BENZALDEHYDE, H19808_ALDRICH, 3-HYDROXY-BENZALDEHYDE, NSC 3504, CHEBI:16207, EINECS 202-892-9, NSC3504, BRN 0507099, c0055, ZINC00901630, AI3-12120, LS-25059, ST5213351

Molecular Formula: C7H6O2Molecular Weight: 122.121340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IAVREABSGIHHMO-UHFFFAOYSA-N

• 1,4-Chinone
IUPAC Name: cyclohexa-2,5-diene-1,4-dione | CAS Registry Number: 106-51-4
Synonyms: p-benzoquinone, Quinone, Benzoquinone, Chinone, p-Quinone, para-Quinone, Steara pbq, Cyclohexadienedione, 1,4-BENZOQUINONE, 1,4-Benzoquine, 1,4-Dioxybenzene, para-Benzoquinone, Benzo-1,4-quinone, Chinon, Benzo-chinon, 1,4-Cyclohexadienedione, 2,5-Cyclohexadiene-1,4-dione, p-Chinon, Semiquinone anion, p-Chinon [German]

Molecular Formula: C6H4O2Molecular Weight: 108.094760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AZQWKYJCGOJGHM-UHFFFAOYSA-N

• 3,5-Dihydroxybenzoic acid
IUPAC Name: 3,5-dihydroxybenzoic acid | CAS Registry Number: 99-10-5
Synonyms: alpha-Resorcylic acid, 5-Carboxyresorcinol, 3,5-DIHYDROXYBENZOIC ACID, .alpha.-Resorcylic acid, Benzoic acid, 3,5-dihydroxy-, Ambap1483, 3,5-DIHYDROXYBENZOATE, D110000_ALDRICH, EINECS 202-730-7, NSC 22948, AIDS018063, AIDS-018063, NSC22948, BRN 2207864, AI3-52338, LS-143431, TL8006060, 4-10-00-01501 (Beilstein Handbook Reference), 34D, InChI=1/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11

Molecular Formula: C7H6O4Molecular Weight: 154.120140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: UYEMGAFJOZZIFP-UHFFFAOYSA-N

• 2-Hydroxy-4-MethoxyBenzophenone-5-Sulfonic Acid Sodium Salt
IUPAC Name: 5-(benzoyl)-4-hydroxy-2-methoxybenzenesulfonic acid | CAS Registry Number: 6628-37-1
Synonyms: Sulisobenzone, Sungard, Sulisobenzona, Sulisobenzonum, Uvinul, Uval, Benzophenone 4, Benzophenone-4, Uval sodium salt, Uvinuc ms 40, Seesorb 101S, Syntase 230, Uvinul MS 40, UV Absorber HMBS, Sungard (TN), HMBS, SULISOBENZENE, Uvinul MS-40 substanz, Spectra-Sorb UV 284, Uval (*sodium salt*)

Molecular Formula: C14H12O6SMolecular Weight: 308.306480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: CXVGEDCSTKKODG-UHFFFAOYSA-N

• 4-Aminophenol
IUPAC Name: 4-aminophenol | CAS Registry Number: 123-30-8
Synonyms: 4-aminophenol, p-aminophenol, 4-hydroxyaniline, p-hydroxyaniline, Certinal, Paranol, Citol, Azol, 4-aminobenzenol, Phenol, 4-amino-, Activol, Rodinal, Phenol, p-amino-, Fouramine P, Benzofur P, Fourrine P Base, Pelagol P Base, Tertral P Base, Ursol P, Furro P Base

Molecular Formula: C6H7NOMolecular Weight: 109.125880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PLIKAWJENQZMHA-UHFFFAOYSA-N

• 1H-pyrazole
IUPAC Name: 1H-pyrazole | CAS Registry Number: 288-13-1
Synonyms: pyrazole, 1H-Pyrazole, 1,2-diazole, 1H-pyrazol, WLN: T5MNJ, P56607_ALDRICH, C3H4N2, NSC45410, CHEBI:17241, EINECS 206-017-1, CID1048, NSC 45410, AIDS069154, AIDS-069154, ZINC00895257, AI3-60151, NCI60_004054, ST007565, LS-127884, TL8002272

Molecular Formula: C3H4N2Molecular Weight: 68.077260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WTKZEGDFNFYCGP-UHFFFAOYSA-N

• 4,6-Dichloro-5-methoxypyrimidine
IUPAC Name: 4,6-dichloro-5-methoxypyrimidine | CAS Registry Number: 5018-38-2
Synonyms: EINECS 225-699-1, NSC252184, Pyrimidine, 4,6-dichloro-5-methoxy-, TL8003327

Molecular Formula: C5H4Cl2N2OMolecular Weight: 179.004060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IJQIGKLDBGKSNT-UHFFFAOYSA-N

• 5 - Chloro-2-Methoxy Aniline
IUPAC Name: 5-chloro-2-methoxyaniline | CAS Registry Number: 95-03-4
Synonyms: 5-Chloro-o-anisidine, 5-Chloroanisidine, Tulabase Fast Red R, Tulabase Fast Red RC, 5-Chloro-2-methoxyaniline, 2-Amino-4-chloroanisole, 2-Methoxy-5-chloroaniline, o-Anisidine, 5-chloro-, Benzenamine, 5-chloro-2-methoxy-, p-CHLORO-o-AMINOANISOLE, Azoic diazo component 10, base, C.I. 37120 (free base), NSC6114, o-Anisidine, 5-chloro- (8CI), NSC 6114, EINECS 202-385-2, ZINC00153252, C.I. 37120 (free base) (VAN), AI3-01933, ST5213783

Molecular Formula: C7H8ClNOMolecular Weight: 157.597520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WBSMIPLNPSCJFS-UHFFFAOYSA-N

• 3-Pentanone
IUPAC Name: pentan-3-one | CAS Registry Number: 96-22-0
Synonyms: Diethyl ketone, Dimethylacetone, Methacetone, Metacetone, Propione, Ethyl ketone, 3-PENTANONE, Pentan-3-one, Pentanone-3, Ethyl propionyl, Diethylcetone, Diethylcetone [French], DIETHYLKETONE, HSDB 5301, W510106_ALDRICH, 127604_ALDRICH, 270334_ALDRICH, 345121_ALDRICH, WLN: 2V2, NSC 8653

Molecular Formula: C5H10OMolecular Weight: 86.132300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FDPIMTJIUBPUKL-UHFFFAOYSA-N

• 2-Methyl-6-nitrobenzoic acid
IUPAC Name: 2-methyl-6-nitrobenzoic acid | CAS Registry Number: 13506-76-8
Synonyms: 6-Nitro-o-toluic acid, 2-METHYL-6-NITROBENZOIC ACID, Ambap4624, 5-Nitro-o-toluic acid, o-Toluic acid, 6-nitro-, 6-Methyl-2-nitrobenzoic acid, MLS002152875, 151394_ALDRICH, Benzoic acid, 2-methyl-6-nitro-, EINECS 236-833-3, CID16097, EINECS 217-829-0, LS-789, NCGC00091581-01, 2-METHYL-5-NITROBENZOIC ACID, SMR001224490, ST5406588, InChI=1/C8H7NO4/c1-5-3-2-4-6(9(12)13)7(5)8(10)11/h2-4H,1H3,(H,10,11, 1975-52-6, 27329-28-8

Molecular Formula: C8H7NO4Molecular Weight: 181.145480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: CCXSGQZMYLXTOI-UHFFFAOYSA-N

• 2,4-Dinitrochlorobenzene
IUPAC Name: 1-chloro-2,4-dinitrobenzene | CAS Registry Number: 97-00-7
Synonyms: Dinitrochlorobenzene, 1-chloro-2,4-dinitrobenzene, CDNB, DNCB, Dinitrochlorobenzol, Chlorodinitrobenzene, Caswell No. 389C, Benzene, 1-chloro-2,4-dinitro-, 2,4-Dinitrophenyl chloride, Dinitrochlorobenzene (VAN), 1,3-Dinitro-4-chlorobenzene, 2,4-Dinitro-1-chlorobenzene, 4-Chloro-1,3-dinitrobenzene, CID6, 1-Chlor-2,4-dinitrobenzol, WLN: WNR BG ENW, 1-Chlor-2,4-dinitrobenzene, 6-Chloro-1,3-dinitrobenzene, C6H3ClN2O4, CCRIS 1799

Molecular Formula: C6H3ClN2O4Molecular Weight: 202.552020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VYZAHLCBVHPDDF-UHFFFAOYSA-N

• 3-Methacryloxypropyltrimethoxysilane
IUPAC Name: 3-trimethoxysilylpropyl 2-methylprop-2-enoate | CAS Registry Number: 2530-85-0
Synonyms: Dynasylan MEMO, Mops-M, Silicone A-174, Union carbide A-174, Silane A174, NUCA 174, Methacryloxypropyltrimethoxysilane, 3-(Trimethoxysilyl)propyl methacrylate, KBM 503, KDM 503, NCIOpen2_005869, Methacryloyloxypropyltrimethoxysilane, HSDB 5468, M6514_SIGMA, Dow Corning product Z-6030, 440159_ALDRICH, 3-Trimethoxysilylpropyl methacrylate, 64208_FLUKA, EINECS 219-785-8, Silane, 3-methacryloxypropyltrimethoxy-

Molecular Formula: C10H20O5SiMolecular Weight: 248.348300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: XDLMVUHYZWKMMD-UHFFFAOYSA-N

• 2',4'-Dihydroxyacetophenone
IUPAC Name: 1-(2,4-dihydroxyphenyl)ethanone | CAS Registry Number: 89-84-9
Synonyms: Resacetophenone, 4-Acetylresorcinol, Resoacetophenone, 2,4-Dihydroxyacetophenone, Resorcinol, 4-acetyl-, .beta.-Resacetophenone, Acetophenone, 2',4'-dihydroxy-, 2',4'-DIHYDROXYACETOPHENONE, 1-(2,4-Dihydroxyphenyl)ethanone, Ethanone, 1-(2,4-dihydroxyphenyl)-, WLN: QR CQ DV1, D107409_ALDRICH, 1-Acetyl-2,4-dihydroxybenzene, CHEBI:18414, EINECS 201-945-3, NSC 10883, AIDS017971, AIDS-017971, NSC10883, NSC37559

Molecular Formula: C8H8O3Molecular Weight: 152.147320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: SULYEHHGGXARJS-UHFFFAOYSA-N

• 4-Nitroindole
IUPAC Name: 4-nitro-1H-indole | CAS Registry Number: 4769-97-5
Synonyms: Indole, 4-nitro-, 4-Nitro-1H-indole, 1H-Indole, 4-nitro-, Maybridge1_006408, Oprea1_676916, 269964_ALDRICH, ZINC00082985, ST5406370, TL8003237, N-2980

Molecular Formula: C8H6N2O2Molecular Weight: 162.145440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LAVZKLJDKGRZJG-UHFFFAOYSA-N


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