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Hallochem Pharma Co., Ltd.

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Profile: Hallochem Pharma Co., Ltd specializes in active pharmaceutical ingredients (API), veterinary drugs, agrochemicals, biochemicals, intermediates, and specialty chemicals. Our products include 10-deacetylbaccatin, 3-nitrosobenzamide, 6-mercaptopurine, abacavir, acebutolol hydrochloride, aceclofenac, aceglutamide aluminum, acemetacin, aciclovir, acipimox, and acitretin.

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• 3-Nitrobenzaldehyde
IUPAC Name: 3-nitrobenzaldehyde | CAS Registry Number: 99-61-6
Synonyms: m-Nitrobenzaldehyde, 3-NITROBENZALDEHYDE, Benzaldehyde, 3-nitro-, Benzaldehyde, m-nitro-, 3-Formylnitrobenzene, 5-Nitrobenzaldehyde, nchembio804-comp6, meta-nitrobenzaldehyde, WLN: WNR CVH, CCRIS 1784, N10845_ALDRICH, NSC 5504, 72790_FLUKA, EINECS 202-772-6, CID7449, NSC5504, ZINC00163576, AI3-08906, LS-25108, ST5213383

Molecular Formula: C7H5NO3Molecular Weight: 151.119500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZETIVVHRRQLWFW-UHFFFAOYSA-N

• 4-Nitrobenzoyl Chloride
IUPAC Name: 4-nitrobenzoyl chloride | CAS Registry Number: 122-04-3
Synonyms: 4-Nitrobenzoyl chloride, P-NITROBENZOYL CHLORIDE, Benzoyl chloride, 4-nitro-, Benzoyl chloride, p-nitro-, nchembio.87-comp28, p-Nitrobenzoic acid chloride, 4-Nitro-benzoyl chloride, 4-Nitrobenzoic acid chloride, Nitrobenzoyl chloride, 4-, PHENYLACETYL CHLORIDE, CCRIS 3136, 112208_ALDRICH, NSC 5381, 73120_FLUKA, 73122_FLUKA, EINECS 204-517-4, NSC5381, BRN 0473192, LS-661, ZINC01680883

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

InChIKey: SKDHHIUENRGTHK-UHFFFAOYSA-N

• 8-Hydroxyquinoline N-Oxide
IUPAC Name: 1-oxidoquinolin-1-ium-8-ol | CAS Registry Number: 1127-45-3
Synonyms: o-Hydroxyquinoline N-oxide, 8-Hydroxyquinoline N-oxide, 8-Quinolinol, 1-oxide, Quinolin-8-ol 1-oxide, 8-Hydroxyquinoline 1-oxide, 8-Quinolinol N-oxide, 8-Hydroxyquinoline-N-oxide, 8-QUINOLINOL, N-OXIDE, CCRIS 4451, 122335_ALDRICH, EINECS 214-430-3, NSC 21656, NSC21656, BRN 0128737, ZINC00388136, LS-142579, ST5406216, 5-21-03-00276 (Beilstein Handbook Reference)

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FJKUOCCQEBLPNX-UHFFFAOYSA-N

• (R)-2-(2,4-Dichlorophenoxy)propanoic acid
IUPAC Name: (2R)-2-(2,4-dichlorophenoxy)propanoic acid | CAS Registry Number: 15165-67-0
Synonyms: Dichlorprop-P, Duplosan DP, Optica DP, Dichlorprop, D-, (+)-Dichlorprop, (R)-Dichlorprop, Dichlorprop-P [ISO:BSI], Cid 84811, BRN 3203102, CID119435, (+)-2,4-DP, LS-121351, (R)-(+)-2-(2,4-Dichlorophenoxy)propionic acid, Propanoic acid, 2-(2,4-dichlorophenoxy)-, (R)-, Propionic acid, 2-(2,4-dichlorophenoxy)-, (+)-, 4-06-00-00923 (Beilstein Handbook Reference)

Molecular Formula: C9H8Cl2O3Molecular Weight: 235.064020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MZHCENGPTKEIGP-RXMQYKEDSA-N

• 9,10-Dihydro-4H-Benzo[4,5]cyclohepta[1,2-B]thiophen-4-One
IUPAC Name: 4,5-dihydrobenzo[1,2]cyclohepta[3,4-b]thiophen-10-one | CAS Registry Number: 1622-55-5
Synonyms: AC1LGBXC, SureCN3036634, MolPort-003-714-914, HMS1608A08, AKOS001484793, 9,10-Dihydro-4H-benzo[4,5]cyclohepta, EU-0034727, FT-0666903, 9,10-Dihydro-4H-benzo[4,5]cyclohepta [b]-thiophen-4-one, 9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one

Molecular Formula: C13H10OSMolecular Weight: 214.282900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JAGBUENUSNSSFW-UHFFFAOYSA-N

• 2,2-Dichloro-N-[(1R,2S)-3-Fluoro-1-Hydroxy-1-(4-Methylsulfonylphenyl)propan-2-Yl]acetamide
IUPAC Name: 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide | CAS Registry Number: 73231-34-2
Synonyms: Florfenicol, Nuflor, florphenicol, (-)-Florfenicol, Nuflor (TN), 3-fluorothiamphenicol, thiamphenicol, 3-fluoro, Prestwick0_000955, Prestwick1_000955, Prestwick2_000955, Prestwick3_000955, Florfenicol (USAN/INN), Sch-25298, Florfenicol [USAN:INN:BAN], C12H14Cl2FNO4S, Sch 25298, BSPBio_000950, MLS002154071, SPBio_003099, BPBio1_001046

Molecular Formula: C12H14Cl2FNO4SMolecular Weight: 358.213263 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: AYIRNRDRBQJXIF-NXEZZACHSA-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

• 1,4-Dimethoxybenzene
IUPAC Name: 1,4-dimethoxybenzene | CAS Registry Number: 150-78-7
Synonyms: p-Dimethoxybenzene, p-Methoxyanisole, Benzene, p-dimethoxy-, Benzene, 1,4-dimethoxy-, Quinol dimethyl ether, Dimethyl hydroquinone, 1,4-Dimethoxybenzol, Anisole, p-methoxy-, Dimethylhydroquinone, Dimethylhydroquinone ether, Dimethyl ether hydroquinone, USAF AN-9, USAF uctl-1791, HYDROQUINONE DIMETHYL ETHER, Dimethylolbenzimidazolon, Hydroquinone, dimethyl ether, Methyl p-methoxyphenyl ether, FEMA No. 2386, CCRIS 5920, WLN: 1OR DO1

Molecular Formula: C8H10O2Molecular Weight: 138.163800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OHBQPCCCRFSCAX-UHFFFAOYSA-N

• 2,4,6-Tribromophenol
IUPAC Name: 2,4,6-tribromophenol | CAS Registry Number: 118-79-6
Synonyms: 2,4,6-tribromophenol, Tribromophenol, Bromkal pur 3, Bromol, Xeroform, Flammex 3BP, Phenol, 2,4,6-tribromo-, 1e5a, C6H3Br3O, BISMUTH TRIBROMOPHENATE, WLN: QR BE DE FE, CCRIS 1658, TA 10, HSDB 5584, MLS002152858, 137715_ALDRICH, 36918_RIEDEL, 442304_SUPELCO, NSC 2136, 90730_FLUKA

Molecular Formula: C6H3Br3OMolecular Weight: 330.799420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BSWWXRFVMJHFBN-UHFFFAOYSA-N

• 2,4-Dichloro Phenyl Imidazole Ethanol
IUPAC Name: 1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol | CAS Registry Number: 24155-42-8
Synonyms: MLS000056514, EINECS 246-042-5, BRN 0617090, T 824, LS-78610, SMR000066401, alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol, ST5308226, TL8001987, R 14821, Imidazole-1-ethanol, alpha-(2,4-dichlorophenyl)-, 5-23-04-00319 (Beilstein Handbook Reference), Benzyl alcohol, 2,4-dichloro-alpha-(1-imidazolylmethyl)-, N-(beta-(2,4-Dichlorophenyl)-beta-hydroxyethyl)imidazole, 1H-Imidazole-1-ethanol, alpha-(2,4-dichlorophenyl)-, 1-(2,4-DICHLOROPHENYL)-1H-IMIDAZOLE-1-ETHANOL, 1H-Imidazole-1-ethanol, alpha-(2,4-dichlorophenyl)- (9CI)

Molecular Formula: C11H10Cl2N2OMolecular Weight: 257.115900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UKVLTPAGJIYSGN-UHFFFAOYSA-N

• 2-Benzyl Pyridine
IUPAC Name: 2-(phenylmethyl)pyridine | CAS Registry Number: 101-82-6
Synonyms: 2-BENZYLPYRIDINE, Pyridine, 2-benzyl-, Pyridine, 2-(phenylmethyl)-, 2-(Phenylmethyl)pyridine, B30200_ALDRICH, NSC 4033, EINECS 202-979-1, NSC4033, BRN 0115875, ZINC00967345, AI3-11559, LS-130284, ST5214501, TL8000102, 5-20-07-00556 (Beilstein Handbook Reference), AC-907/25014395, InChI=1/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H

Molecular Formula: C12H11NMolecular Weight: 169.222440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PCFUWBOSXMKGIP-UHFFFAOYSA-N

• 2-Bromopyridine
IUPAC Name: 2-bromopyridine | CAS Registry Number: 109-04-6
Synonyms: 2-BROMOPYRIDINE, o-Bromopyridine, Pyridine, 2-bromo-, 2-Pyridyl bromide, beta-Bromopyridine, alpha-Bromopyridine, .alpha.-Bromopyridine, .beta.-Bromopyridine, PYRIDINE,2-BROMO, WLN: T6NJ BE, B80100_ALDRICH, NSC 8031, CHEBI:51574, EINECS 203-641-6, NSC8031, AIDS020378, AIDS-020378, BRN 0105789, SBB003999, ZINC00158586

Molecular Formula: C5H4BrNMolecular Weight: 157.995960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IMRWILPUOVGIMU-UHFFFAOYSA-N

• 2-Hydroxy-2-Methyl-Phenyl-Propane-1-One
IUPAC Name: 2-hydroxy-2-methyl-1-phenylpropan-1-one | CAS Registry Number: 7473-98-5
Synonyms: HMPP, 2-Hydroxy-2-methylpropiophenone, 405655_ALDRICH, EINECS 231-272-0, 1-Phenyl-2-hydroxy-2-methylpropan-1-one, NSC 401744, NSC401744, 1-Propanone, 2-hydroxy-2-methyl-1-phenyl-, 2-Hydroxy-2-methyl-1-phenyl-1-propanone, LS-123055, TL8005139, 126038-32-2, 71833-40-4, 75718-48-8

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XMLYCEVDHLAQEL-UHFFFAOYSA-N

• 2-Methyl-1-Butanol
IUPAC Name: 2-methylbutan-1-ol | CAS Registry Number: 137-32-6
Synonyms: sec-Butylcarbinol, 2-Methylbutanol, Active amyl alcohol, 2-Methyl-n-butanol, 2-Methylbutyl alcohol, 1-Butanol, 2-methyl-, 2-Methyl butanol-1, 2-Methylbutan-1-ol, 2-METHYL-1-BUTANOL, sec-Butyl carbinol, dl-sec-Butyl carbinol, Active primary amyl alcohol, Primary active amyl alcohol, L-2-Methyl-1-butanol, Methyl-2-butan-1-ol, DL-2-Methyl-1-butanol, (1)-2-Methylbutan-1-ol, ()-2-Methyl-1-butanol, (S)-2-Methyl-1-butanol, (S)-2-Methylbutan-1-ol

Molecular Formula: C5H12OMolecular Weight: 88.148180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QPRQEDXDYOZYLA-UHFFFAOYSA-N

• 3,5-dimethyl-1-hexyn-3-ol
IUPAC Name: 3,5-dimethylhex-1-yn-3-ol | CAS Registry Number: 107-54-0
Synonyms: Surfynol, Surfynol 61, Surfynol (VAN), 3,5-Dimethyl-1-hexyn-3-ol, 278394_ALDRICH, 3,5-Dimethylhex-1-yn-3-ol, NSC978, 1-HEXYN-3-OL, 3,5-DIMETHYL-, ZERO/001856, NSC 978, CID61018, EINECS 203-500-9, AI3-23126

Molecular Formula: C8H14OMolecular Weight: 126.196160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NECRQCBKTGZNMH-UHFFFAOYSA-N

• 1-Methyl-3-phenyl-2-thiourea
IUPAC Name: 1-methyl-3-phenylthiourea | CAS Registry Number: 2724-69-8
Synonyms: 1-Phenyl-3-methylthiourea, N-Methyl-N'-phenylthiourea, Thiourea, N-methyl-N'-phenyl-, 1-Methyl-3-phenylthiocarbamide, Urea, 1-methyl-3-phenyl-2-thio-, N-Methyl-N'-phenyl thiourea, WLN: SUYM1&MR, 1-METHYL-3-PHENYLTHIOUREA, NSC 3736, NSC3736, BRN 0638006, SBB003887, ZINC00073117, LS-160517, 3-12-00-00853 (Beilstein Handbook Reference)

Molecular Formula: C8H10N2SMolecular Weight: 166.243400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: IGEQFPWPMCIYDF-UHFFFAOYSA-N

• 2-Amino-5-chlorobenzophenone oxime
IUPAC Name: (NE)-N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine | CAS Registry Number: 18097-52-4
Synonyms: NSC86144, SBB003174, Benzophenone, 2-amino-5-chloro-, oxime, (2-Amino-5-chlorophenyl)phenylmethanone oxime, Methanone, (2-amino-5-chlorophenyl)phenyl-, oxime, SR-01000414316-2, (E)-(2-Amino-5-chlorophenyl)(phenyl)methanone oxime

Molecular Formula: C13H11ClN2OMolecular Weight: 246.692240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GCAVNCINXJNLED-DTQAZKPQSA-N

• 2-Chloro-4'-Methoxyacetophenone
IUPAC Name: 2-chloro-1-(4-methoxyphenyl)ethanone | CAS Registry Number: 2196-99-8
Synonyms: 2-chloro-1-(4-methoxyphenyl)ethanone, NSC41670, CID237806, ZINC00337833, ethanone, 2-chloro-1-(4-methoxyphenyl)-, ST5409183, AQ-917/42754012, I01-1012, InChI=1/C9H9ClO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H

Molecular Formula: C9H9ClO2Molecular Weight: 184.619560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MCRINSAETDOKDE-UHFFFAOYSA-N

• 5-Diethylamino-2-pentanone
IUPAC Name: 5-(diethylamino)pentan-2-one | CAS Registry Number: 105-14-6
Synonyms: Novol ketone, Novalketone, 5-Diethylaminopentan-2-one, 1-(Diethylamino)-4-pentanone, 5-(diethylamino)pentan-2-one, 5-diethylamino-pentan-2-one, 2-PENTANONE, 5-(DIETHYLAMINO)-, 5-(N,N-Diethylamino)pentan-2-one, 5-(Diethylamino)-2-pentanone, DF 493, NSC 6320, EINECS 203-274-1, NSC6320, BRN 1749398, WLN: 2N2 & 3V1, AI3-08706, LS-101940, 4-04-00-01935 (Beilstein Handbook Reference)

Molecular Formula: C9H19NOMolecular Weight: 157.253260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GRGNJBKJCVOFEO-UHFFFAOYSA-N

• 2,5-Dimethyl-1,5-Hexadiene
IUPAC Name: 2,5-dimethylhexa-1,5-diene | CAS Registry Number: 627-58-7
Synonyms: Bimethallyl, Dimethallyl, 1,5-Hexadiene, 2,5-dimethyl-, 2,5-DIMETHYL-1,5-HEXADIENE, 2,5-Dimethylhexa-1,5-diene, 362247_ALDRICH, NSC10813, CID12322, EINECS 211-003-3, NSC 10813, AI3-30528, TL8004260, InChI=1/C8H14/c1-7(2)5-6-8(3)4/h1,3,5-6H2,2,4H

Molecular Formula: C8H14Molecular Weight: 110.196760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: DSAYAFZWRDYBQY-UHFFFAOYSA-N

• 2,5-Dimethyl-3-Hexanol
IUPAC Name: 2,5-dimethylhexan-3-ol | CAS Registry Number: 19550-07-3
Synonyms: 2,5-Dimethyl-3-hexanol, 3-Hexanol, 2,5-dimethyl-, 2,5-Dimethylhexan-3-ol, NSC95420, CID89183, EINECS 243-152-5

Molecular Formula: C8H18OMolecular Weight: 130.227920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SNKTZHPOKPYBPT-UHFFFAOYSA-N

• 3,5-Dihydroxybenzyl Alcohol
IUPAC Name: 5-(hydroxymethyl)benzene-1,3-diol | CAS Registry Number: 29654-55-5
Synonyms: 3,5-Dihydroxybenzyl alcohol, 5-(Hydroxymethyl)resorcinol, Ambap7677, 396206_ALDRICH, EINECS 249-751-8, BRN 2326351, BENZYL ALCOHOL, 3,5-DIHYDROXY-, ZINC00388547, LS-42852, TL8002310, 3-06-00-06326 (Beilstein Handbook Reference)

Molecular Formula: C7H8O3Molecular Weight: 140.136620 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: NGYYFWGABVVEPL-UHFFFAOYSA-N

• 3'-Nitroacetophenone
IUPAC Name: 1-(3-nitrophenyl)ethanone | CAS Registry Number: 121-89-1
Synonyms: M-NITROACETOPHENONE, m-Acetylnitrobenzene, Acetophenone, 3'-nitro-, 1-(3-Nitrophenyl)ethanone, USAF MA-1, Ethanone, 1-(3-nitrophenyl)-, Methyl 3-nitrophenyl ketone, 3-Nitroacetofenon [Czech], WLN: WNR CV1, 1-{3-nitrophenyl}ethanone, (3-Nitrophenyl) methyl ketone, CCRIS 2330, N9381_ALDRICH, HSDB 2710, NSC 5511, EINECS 204-504-3, CID8494, NSC5511, LS-657, ZINC00148003

Molecular Formula: C8H7NO3Molecular Weight: 165.146080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ARKIFHPFTHVKDT-UHFFFAOYSA-N

• 4-Chloro-3-Amino Benzotriflouride
IUPAC Name: 2-chloro-5-(trifluoromethyl)aniline | CAS Registry Number: 121-50-6
Synonyms: Orange Salt NRD, Fast Orange RD Oil, Fast Orange RD Salt, Fast Orange Salt RD, Daito Orange Salt RD, Diazo Fast Orange RD, Fast Orange Salt RDA, Fast Orange Salt RDN, 3-Amino-4-chlorobenzotrifluoride, Sanyo Fast Orange Salt RD, Azoene Fast Orange RD Salt, USAF MA-13, Hiltosal Fast Orange RD Salt, WLN: ZR BG EXFFF, 4-Chloro-3-aminobenzotrifluoride, 2-Chloro-5-(trifluoromethyl)aniline, CCRIS 2816, 07430_ALDRICH, 6-Chloro-3-(trifluoromethyl)aniline, Benzenamine, 2-chloro-5-(trifluoromethyl)-

Molecular Formula: C7H5ClF3NMolecular Weight: 195.569510 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VKTTYIXIDXWHKW-UHFFFAOYSA-N

• 4-Nitrochlorobenzene
IUPAC Name: 1-chloro-4-nitrobenzene | CAS Registry Number: 100-00-5
Synonyms: 4-Chloronitrobenzene, p-Chloronitrobenzene, p-Nitrochlorobenzene, PNCB, 1-CHLORO-4-NITROBENZENE, Nitrochlorobenzene, p-Nitrophenyl chloride, Benzene, 1-chloro-4-nitro-, p-Nitrochlorobenzol, p-Nitroclorobenzene, p-Nitrochloorbenzeen, 1-Nitro-4-chlorobenzene, 4-Chloro-1-nitrobenzene, 4-Nitro-1-chlorobenzene, 1,4-Chloronitrobenzene, 1-Chlor-4-nitrobenzol, 1-Cloro-4-nitrobenzene, 1-Chloor-4-nitrobenzeen, WLN: WNR DG, p-Nitrochloorbenzeen [Dutch]

Molecular Formula: C6H4ClNO2Molecular Weight: 157.554460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CZGCEKJOLUNIFY-UHFFFAOYSA-N

• 4-Nitropyridine-N-Oxide
IUPAC Name: 4-nitro-1-oxidopyridin-1-ium | CAS Registry Number: 1124-33-0
Synonyms: p-Nitropyridine N-oxide, 4-Nitropyridine N-oxide, 4-Nitropyridine oxide, 4-Nitropyridine 1-oxide, Avitrol 100, 4-Nitropyridine-N-oxide, Caswell No. 604AA, Pyridine-1-oxide, 4-nitro-, WLN: T6NJ AO DNW, CCRIS 1207, PYRIDINE, 4-NITRO-, 1-OXIDE, HSDB 6415, 4-NITRO-N-OXOPYRIDINE, 346659_ALDRICH, NSC 5079, EINECS 214-395-4, NSC5079, AIDS160032, EPA Pesticide Chemical Code 597300, AIDS-160032

Molecular Formula: C5H4N2O3Molecular Weight: 140.096860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RXKNNAKAVAHBNK-UHFFFAOYSA-N

• 3-Bromomethylbenzophenone
IUPAC Name: [3-(bromomethyl)phenyl]-phenylmethanone | CAS Registry Number: 22071-24-5
Synonyms: 3-(Bromomethyl)benzophenone, 3-BENZOYLBENZYLBROMIDE, ZINC02584610, CID89586, EINECS 244-761-9, TL8001834

Molecular Formula: C14H11BrOMolecular Weight: 275.140540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SZJQXQICJDHRJE-UHFFFAOYSA-N

• 5-Methyl-3-phenyl-4-isoxazolecarboxylic acid
IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid | CAS Registry Number: 1136-45-4
Synonyms: CBDivE_008536, 134198_ALDRICH, WLN: T5NOJ C1 DVQ ER, EINECS 214-497-9, NSC 76870, 3-Phenyl-5-methylisoxazole-4-carboxylic acid, 5-Methyl-3-phenylisoxazole-4-carboxylic acid, NSC76870, BRN 0164939, SBB010075, 4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-, SDCCGMLS-0065903.P001, 3-Phenyl-5-methylisoxazol-4-carbonsaeure, BAS 00532226, LS-86647, 5-methyl-3-phenyl-4-isoxazolecarboxylicacid, UPCMLD00X1136-45-4:001, UPCMLD00X1136-45-4:002, 3-Phenyl-5-methylisoxazol-4-carbonsaeure [German], ISOXAZOLE-4-CARBOXYLIC ACID, 5-METHYL-3-PHENYL-

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

InChIKey: PENHKTNQUJMHIR-UHFFFAOYSA-N

• 2,6-Difluorobenzonitrile
IUPAC Name: 2,6-difluorobenzonitrile | CAS Registry Number: 1897-52-5
Synonyms: Benzonitrile, 2,6-difluoro-, 2,6-Difluoro-benzonitrile, 186783_ALDRICH, 2,6-DIFLUORO BENZONITRILE, ZINC00164372, BB_SC-4524, CID74695, JRD-0121, EINECS 217-589-7, TL8001545, InChI=1/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3

Molecular Formula: C7H3F2NMolecular Weight: 139.102226 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BNBRIFIJRKJGEI-UHFFFAOYSA-N

• 3,4,5-Trimethoxybenzoic acid
IUPAC Name: 3,4,5-trimethoxybenzoic acid | CAS Registry Number: 118-41-2
Synonyms: Eudesmic acid, Trimethylgallic acid, Gallic acid trimethyl ether, Tri-O-methylgallic acid, Spectrum_000082, SpecPlus_000919, Veratric acid, 5-methoxy-, Spectrum2_000791, Spectrum3_000260, Spectrum4_001625, Spectrum5_000409, 3,4,5-TRIMETHOXYBENZOIC ACID, Benzoic acid, 3,4,5-trimethoxy-, Oprea1_180796, BSPBio_001680, CBDivE_013176, CBDivE_014084, KBioGR_002029, KBioSS_000502, T69000_ALDRICH

Molecular Formula: C10H12O5Molecular Weight: 212.199280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: SJSOFNCYXJUNBT-UHFFFAOYSA-N

• 1-Aminohydantoin hydrochloride
IUPAC Name: 1-aminoimidazolidine-2,4-dione;hydrochloride | CAS Registry Number: 2827-56-7
Synonyms: 1-aminoimidazolidine-2,4-dione hydrochloride, SBB004061, 1-Aminohydantoin HCl, AC1Q3DFU, ACMC-209h1m, SureCN1126384, 1-Amino hydantoin hydrochloride, 33655_RIEDEL, 545953_ALDRICH, Jsp005434, 33655_FLUKA, CTK1A1799, MolPort-001-760-484, ANW-26360, AKOS007930192, AG-A-18459, MCULE-7370713803, RP21519, AK-81573, KB-11143

Molecular Formula: C3H6ClN3O2Molecular Weight: 151.551640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: WEOHANUVLKERQI-UHFFFAOYSA-N

• 2-Nitrodiphenylamine
IUPAC Name: 2-nitro-N-phenylaniline | CAS Registry Number: 119-75-5
Synonyms: Nitrodiphenylamine, o-Nitrodiphenylamine, 2-Nitro-N-phenylaniline, Sudan Yellow 1339, Diphenylamine, 2-nitro-, N-Phenyl-o-nitroaniline, o-Nitro-N-phenylaniline, Benzenamine, 2-nitro-N-phenyl-, CCRIS 6075, MLS001004443, MLS002152876, 157171_ALDRICH, EINECS 204-348-6, Diphenylamine, 2-nitro- (8CI), NSC4754, NSC629274, AIDS133477, 2-NITRO-N-PHENYLBENZENAMINE, NSC 105613, AIDS-133477

Molecular Formula: C12H10N2O2Molecular Weight: 214.220000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RUKISNQKOIKZGT-UHFFFAOYSA-N

• 2-Amino-5-Methylbenzoic Acid
IUPAC Name: 2-amino-5-methylbenzoic acid | CAS Registry Number: 2941-78-8
Synonyms: 5-Methylanthranilic acid, 5-methylanthranilate, 2-Amino-5-methylbenzoic acid, 6-Amino-m-toluic acid, m-Toluic acid, 6-amino-, 5 - methylanthranilic acid, 419443_ALDRICH, 08403_FLUKA, Benzoic acid, 2-amino-5-methyl-, ALBB-006381, NSC39154, NSC50786, EINECS 220-932-3, CPD0-1488, SBB016389, FR-2396, InChI=1/C8H9NO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11

Molecular Formula: C8H9NO2Molecular Weight: 151.162560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NBUUUJWWOARGNW-UHFFFAOYSA-N

• 2-Methyl-3-Butyn-2-OL
IUPAC Name: 2-methylbut-3-yn-2-ol | CAS Registry Number: 115-19-5
Synonyms: 3-Methylbutynol, Carbavane, Ethynyldimethylcarbinol, 2-Methyl-2-butynol, Dimethylethynylcarbinol, Dimethylethynylmethanol, 3-Butyn-2-ol, 2-methyl-, Carbavane [Russian], Dimethylacetylenecarbinol, 1,1-Dimethylpropynol, Dimethylacetylenylcarbinol, 2-Methylbut-3-yn-2-ol, 3-Methyl-butyn-3-ol, 3-Methyl-1-butyn-3-ol, 1,1-Dimethyl-2-propynol, 2-METHYL-3-BUTYN-2-OL, 2-Methylbutyn-3-ol-2, 1,1-Dimethylpropargyl alcohol, Dimethyl ethynyl carbinol, 1-Butyn-3-ol, 3-methyl-

Molecular Formula: C5H8OMolecular Weight: 84.116420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: CEBKHWWANWSNTI-UHFFFAOYSA-N

• 3-Methoxyacetophenone
IUPAC Name: 1-(3-methoxyphenyl)ethanone | CAS Registry Number: 586-37-8
Synonyms: 3-Acetylanisole, m-Acetanisole, m-Methoxyacetophenone, 3'-Methoxyacetophenone, Acetophenone, 3'-methoxy-, Acetophenone, m-methoxy-, Ethanone, 1-(3-methoxyphenyl)-, M9408_ALDRICH, NCIOpen2_000067, 1-(3-METHOXYPHENYL)ETHANONE, Acetophenone, 3'-methoxy- (8CI), NSC65593, EINECS 209-573-3, NSC 65593, ZINC01692471, Ethanone, 1-(3-methoxyphenyl)- (9CI), AI3-26011, ST5213410, InChI=1/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H

Molecular Formula: C9H10O2Molecular Weight: 150.174500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BAYUSCHCCGXLAY-UHFFFAOYSA-N

• 2,2,2-Trichloroethyl Chloroformate
IUPAC Name: 2,2,2-trichloroethyl carbonochloridate | CAS Registry Number: 17341-93-4
Synonyms: Trichloroethyl chloroformate, 2,2,2-Trichloroethyl chloroformate, 142077_ALDRICH, 2,2,2-Trichloroethoxycarbonyl chloride, 23258_FLUKA, CID87063, EINECS 241-363-7, NSC152038, ZINC01555770, Carbonochloridic acid, 2,2,2-trichloroethyl ester, NSC 152038, Formic acid, chloro-, 2,2,2-trichloroethyl ester, Formic acid, chloro-, 2,2,2-trichloroethyl ester (8CI)

Molecular Formula: C3H2Cl4O2Molecular Weight: 211.858780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LJCZNYWLQZZIOS-UHFFFAOYSA-N

• 4-n-Pentylphenol
IUPAC Name: 4-pentylphenol | CAS Registry Number: 14938-35-3
Synonyms: p-Amylphenol, p-Pentylphenol, Phenol, p-pentyl-, 4-Amylphenol, Phenol, 4-pentyl-, 4-PENTYLPHENOL, 4-n-Amylphenol, Amyl p-hydroxybenzene, SGCUT00115, 77102_FLUKA, EINECS 239-015-4, to_000011, BRN 1364424, ZINC01673952, LS-105039, ST5405718, TL8001075, C14466, 4-06-00-03370 (Beilstein Handbook Reference), 65916-15-6

Molecular Formula: C11H16OMolecular Weight: 164.244140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ZNPSUQQXTRRSBM-UHFFFAOYSA-N

• 4-(1-Adamantyl)-Phenol
IUPAC Name: 4-(1-adamantyl)phenol | CAS Registry Number: 29799-07-3
Synonyms: 4-(1-Adamantyl)phenol, AdP cpd, Ambap6144, Oprea1_143547, 393479_ALDRICH, NSC111653, AIDS126464, AIDS-126464, ZINC03864931, NSC 111653, ST5435282, C432591

Molecular Formula: C16H20OMolecular Weight: 228.329400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KZMYFIUFUAOZHP-UHFFFAOYSA-N

• 7-Chloro-1,4-dihydro-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
IUPAC Name: 7-chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate | CAS Registry Number: 68077-26-9
Synonyms: ZINC00406649, CID6951491

Molecular Formula: C12H8ClFNO3-Molecular Weight: 268.648223 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: WNNSMMJBBOPPOT-UHFFFAOYSA-M

• 3-Hexyn-2,5-Diol
IUPAC Name: (2S,5S)-hex-3-yne-2,5-diol | CAS Registry Number: 3031-66-1
Synonyms: hex-3-yne-2,5-diol, 3-HEXYNE-2,5-DIOL, CID638103, NSC409184, ZINC00388729, InChI=1/C6H10O2/c1-5(7)3-4-6(2)8/h5-8H,1-2H

Molecular Formula: C6H10O2Molecular Weight: 114.142400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: KDOWHHULNTXTNS-WDSKDSINSA-N

• 1,2,4-Trichlorobenzene
IUPAC Name: 1,2,4-trichlorobenzene | CAS Registry Number: 120-82-1
Synonyms: 1,2,4-trichlorobenzene, Hostetex L-pec, unsym-Trichlorobenzene, as-trichlorobenzene, Trichlorobenzol, Trojchlorobenzen, Trichlorobenzene A, 1,2,4-Trichlorobenzol, Benzene, 1,2,4-trichloro-, 1,3,4-Trichlorobenzene, 1,2,5-Trichlorobenzene, Trojchlorobenzen [Polish], 1,2,4-Trichlorbenzol, WLN: GR BG DG, CCRIS 5945, ghl.PD_Mitscher_leg0.137, HSDB 1105, 48507_SUPELCO, 132047_ALDRICH, 256412_ALDRICH

Molecular Formula: C6H3Cl3Molecular Weight: 181.447020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PBKONEOXTCPAFI-UHFFFAOYSA-N

• 1,2-Dichloroethane
IUPAC Name: 1,2-dichloroethane | CAS Registry Number: 107-06-2
Synonyms: 1,2-dichloroethane, Ethylene dichloride, Dutch liquid, Ethylene chloride, Glycol dichloride, Dichloremulsion, Brocide, Ethane dichloride, Borer sol, Dutch oil, Di-chlor-mulsion, Dichloroethylene, Dichlor-Mulsion, sym-Dichloroethane, Ethane, 1,2-dichloro-, Aethylenchlorid, 2-Dichloroethane, Destruxol borer-sol, Aethylendichlorid, EDC (halocarbon)

Molecular Formula: C2H4Cl2Molecular Weight: 98.959160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WSLDOOZREJYCGB-UHFFFAOYSA-N

• 1,3,5-Trimethoxybenzene
IUPAC Name: 1,3,5-trimethoxybenzene | CAS Registry Number: 621-23-8
Synonyms: sym-Trimethoxybenzene, Phloroglucinol trimethyl ether, Benzene, 1,3,5-trimethoxy-, 1,3,5-Trimethyoxybenzene, Spectrum_001404, Spectrum2_000426, Spectrum3_001030, Spectrum4_001163, Spectrum5_001766, NCIOpen2_001419, BSPBio_002819, KBioGR_001765, KBioSS_001884, SPECTRUM231043, SPBio_000412, 138827_ALDRICH, O,O,O-1,3,5-Trimethylresorcinol, EINECS 210-673-4, KBio2_001884, KBio2_004452

Molecular Formula: C9H12O3Molecular Weight: 168.189780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LKUDPHPHKOZXCD-UHFFFAOYSA-N

• 1,3,5-Trimethyl Benzene
IUPAC Name: 1,3,5-trimethylbenzene | CAS Registry Number: 108-67-8
Synonyms: MESITYLENE, Trimethylbenzol, sym-Trimethylbenzene, Fleet-X, 1,3,5-Trimethylbenzene, 3,5-Dimethyltoluene, s-Trimethylbenzene, Benzene, 1,3,5-trimethyl-, Trimethylbenzene, 1,3,5-, HSDB 92, M7200_ALDRICH, 442236_SUPELCO, NSC 9273, WLN: 1R C1 E1, 63908_FLUKA, 63910_FLUKA, CHEBI:34833, EINECS 203-604-4, NSC9273, UN2325

Molecular Formula: C9H12Molecular Weight: 120.191580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: AUHZEENZYGFFBQ-UHFFFAOYSA-N

• 1-Bromo-3-Chloropropane
IUPAC Name: 1-bromo-3-chloropropane | CAS Registry Number: 109-70-6
Synonyms: 3-Bromopropyl chloride, 3-Chloropropyl bromide, Trimethylene chlorobromide, Propane, 1-bromo-3-chloro-, 1,3-Chlorbromopropane, 1-Chloro-3-bromopropane, 3-Bromo-1-chloropropane, 3-Chloro-1-bromopropane, omega-Chlorobromopropane, 1-BROMO-3-CHLOROPROPANE, .omega.-Chlorobromopropane, l-Chloro-3-bromopropane, 1,3-Chbp, Trimethylene bromide chloride, I-BCP, Trimethylene bromochloride, CCRIS 6536, B62404_ALDRICH, HSDB 5394, B9673_SIGMA

Molecular Formula: C3H6BrClMolecular Weight: 157.436740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MFESCIUQSIBMSM-UHFFFAOYSA-N

• 6-Hydroxynicotinic acid
IUPAC Name: 6-oxo-1H-pyridine-3-carboxylic acid | CAS Registry Number: 5006-66-6
Synonyms: 6-Hydroxynicotinate, 6-Hydroxy-nicotinic acid, 2-Pyridone-5-carboxylic acid, Oprea1_846558, 6-HYDROXYNOCOTINIC ACID, 128759_ALDRICH, 6-hydroxypyridine-3-carboxylic acid, 55968_FLUKA, CHEBI:16168, ZERO/005644, NSC8620, AIDS020401, Nicotinic acid, 1,6-dihydro-6-oxo-, AIDS-020401, ALD-N036441, NSC 8620, NSC35054, NSC53377, 2-Hydroxy-5-pyridinecarboxylic acid, EINECS 225-682-9

Molecular Formula: C6H5NO3Molecular Weight: 139.108800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BLHCMGRVFXRYRN-UHFFFAOYSA-N

• 3-Fluorophenylboronic Acid
IUPAC Name: (3-fluorophenyl)boronic acid | CAS Registry Number: 768-35-4
Synonyms: 3-Fluorophenylboronic acid, 3-Fluorobenzeneboronic acid, (3-fluorophenyl)boronic acid, 441643_ALDRICH, BM377, ALBB-006113, AC 34564, TL8005271

Molecular Formula: C6H6BFO2Molecular Weight: 139.920043 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: KNXQDJCZSVHEIW-UHFFFAOYSA-N

• 2-Methoxy-5-sulfamoylbenzoic acid
IUPAC Name: 2-methoxy-5-sulfamoylbenzoic acid | CAS Registry Number: 22117-85-7
Synonyms: 5-Sulphamoyl-o-anisic acid, EINECS 244-789-1, ST5407390

Molecular Formula: C8H9NO5SMolecular Weight: 231.225760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: SQAILWDRVDGLGY-UHFFFAOYSA-N

• 3-(2-Chlorophenyl)-5-Methylisoxazole-4-Carboxylic Acid
IUPAC Name: 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid | CAS Registry Number: 23598-72-3
Synonyms: NSC81238, CID90203, EINECS 245-770-0, NSC 81238, SBB010107, BAS 14277467, 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-, 4-Isoxazolecarboxylic acid, 3-(o-chlorophenyl)-5-methyl-, 3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid, 3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid, 4-Isoxazolecarboxylic acid, 3-(o-chlorophenyl)-5-methyl- (8CI)

Molecular Formula: C11H8ClNO3Molecular Weight: 237.639120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UVEPOHNXGXVOJE-UHFFFAOYSA-N

• 3-Amino-2,4,6-Triiodo Benzoic Acid
IUPAC Name: 3-amino-2,4,6-triiodobenzoic acid | CAS Registry Number: 3119-15-1
Synonyms: NSC60105, EINECS 221-493-0, 3-Amino-2,4,6-triiodobenzoic acid, NSC 60105, 3-Amino-2,4,6-triiodo-benzoic acid, CID18387, BRN 2113495, LS-36066, Acido 3-amino-2,4,6-triiodobenzoico [Italian], BENZOIC ACID, 3-AMINO-2,4,6-TRIIODO-, ST5437536, 4-14-00-01118 (Beilstein Handbook Reference), 67031-56-5, InChI=1/C7H4I3NO2/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1H,11H2,(H,12,13

Molecular Formula: C7H4I3NO2Molecular Weight: 514.825570 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QMQFFHSJUJDRPG-UHFFFAOYSA-N


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