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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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• 2,2'-Dithiosalicylic Acid
IUPAC Name: 2-(2-carboxyphenyl)disulfanylbenzoic acid | CAS Registry Number: 119-80-2
Synonyms: Dithiosalicylic acid, 2,2'-Dithiodibenzoic acid, Bis(2-carboxyphenyl) disulfide, 2-Carboxyphenyl disulfide, Bis(o-carboxylphenyl) disulfide, Disulfide benzamide analog, Benzoic acid, 2,2'-dithiobis-, Bis(o-carboxyphenyl) disulfide, 2,2'-Dithiodi(benzoic acid), 2,2'-Dithiosalicylic acid, NSC213, 2,2'-Dithiobis(benzoic acid), MLS001216615, NSC 213, NSC5346, 2,2'-Dithiobis[benzoic acid], 389285_ALDRICH, NSC 5346, 43761_FLUKA, BENZOIC ACID, 2,2'-DITHIODI-

Molecular Formula: C14H10O4S2Molecular Weight: 306.356800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LBEMXJWGHIEXRA-UHFFFAOYSA-N

• 2,6-Dimethyl Piperazine
IUPAC Name: 2,6-dimethylpiperazine | CAS Registry Number: 108-49-6
Synonyms: 2,6-Dimethylpiperazine, Piperazine, 2,6-dimethyl-, D179809_ALDRICH, Piperazine, 2,6-dimethyl-, cis-, NSC49197, EINECS 203-588-9, NSC 49197, TL8000282, InChI=1/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H

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

InChIKey: IFNWESYYDINUHV-UHFFFAOYSA-N

• 2-Acetyl Pyridine
IUPAC Name: 1-pyridin-2-ylethanone | CAS Registry Number: 1122-62-9
Synonyms: 2-ACETYLPYRIDINE, Acetylpyridine, 2-Acetopyridine, Ketone, methyl 2-pyridyl, Methyl 2-pyridyl ketone, 2-Pyridyl methyl ketone, Ethanone, 1-(2-pyridinyl)-, 1-(2-Pyridinyl)ethanone, 1-pyridin-2-ylethanone, 2-Acetylpyridine (natural), FEMA No. 3251, CCRIS 7784, A21002_ALDRICH, FEMA 3251, MLS002152864, W325104_ALDRICH, 61803_FLUKA, EINECS 214-355-6, NSC 15043, CID14286

Molecular Formula: C7H7NOMolecular Weight: 121.136580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AJKVQEKCUACUMD-UHFFFAOYSA-N

• 2-Mercapto Benzoic Acid
IUPAC Name: 2-sulfanylbenzoic acid | CAS Registry Number: 147-93-3
Synonyms: Thiosalicylic acid, 2-Carboxythiophenol, o-Mercaptobenzoic acid, o-Thiosalicylic acid, 2-Mercaptobenzoic acid, o-Carboxythiophenol, o-Benzoic acid thiol, 2-Sulfanylbenzoic acid, 2-Thiosalicylic acid, Benzoic acid, 2-mercapto-, o-Sulfhydrylbenzoic acid, Salicylic acid, 2-thio-, BENZOIC ACID, O-MERCAPTO-, USAF KF-2, WLN: SHR BVQ, USAF XR-35, USAF EK-T-2805, o-Mercaptobenzoesaeure [German], T33200_ALDRICH, HSDB 2739

Molecular Formula: C7H6O2SMolecular Weight: 154.186340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NBOMNTLFRHMDEZ-UHFFFAOYSA-N

• 3,6-Dichloropyridazine
IUPAC Name: 3,6-dichloropyridazine | CAS Registry Number: 141-30-0
Synonyms: Pyridazine, 3,6-dichloro-, D73200_ALDRICH, EINECS 205-478-6, TPC-001, NSC 54498, NSC54498, BTB 05810, ZINC01685243, LS-129560, TL800742080, InChI=1/C4H2Cl2N2/c5-3-1-2-4(6)8-7-3/h1-2

Molecular Formula: C4H2Cl2N2Molecular Weight: 148.978080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GUSWJGOYDXFJSI-UHFFFAOYSA-N

• 4(N N-Dimethylamine)Pyridine
IUPAC Name: N,N-dimethylpyridin-4-amine | CAS Registry Number: 1122-58-3
Synonyms: dmap, 4-Dimethylaminopyridine, p-Dimethylaminopyridine, 4-(Dimethylamino)pyridine, 4-Pyridinamine, N,N-dimethyl-, Pyridine, 4-(dimethylamino)-, N,N-Dimethylpyridin-4-amine, gamma-(Dimethylamino)pyridine, CCRIS 6176, N,N-DIMETHYL-4-PYRIDINAMINE, 107700_ALDRICH, 522805_ALDRICH, 522821_ALDRICH, 4-DIMETHYLAMINO PYRIDINE, 39405_FLUKA, EINECS 214-353-5, BRN 0110354, N,N-dimethyl-N-(4-pyridinyl)amine, SBB008765, LS-131426

Molecular Formula: C7H10N2Molecular Weight: 122.167700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VHYFNPMBLIVWCW-UHFFFAOYSA-N

• 4-Amino-3,5-Dichloropyridine
IUPAC Name: 3,5-dichloropyridin-4-amine | CAS Registry Number: 22889-78-7
Synonyms: Maybridge1_006016, 3,5-Dichloro-4-pyridinamine, 3,5-Dichloropyridin-4-amine, 3,5-dichloropyridin-4-ylamine, 4-Pyridinamine, 3,5-dichloro-, Pyridin-4-amino, 3,5-dichloro-, EINECS 245-304-6, SBB016175, A141, TL8001915, AC-907/25014344

Molecular Formula: C5H4Cl2N2Molecular Weight: 163.004660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ISIQAMHROGZHOV-UHFFFAOYSA-N

• 4-Bromotoluene
IUPAC Name: 1-bromo-4-methylbenzene | CAS Registry Number: 106-38-7
Synonyms: p-Bromotoluene, p-Tolyl bromide, Toluene, p-bromo-, Parabromotoluene, p-Methylbromobenzene, 1-Bromo-4-methylbenzene, 4-Tolyl bromide, 4-Methylbromobenzene, 4-BROMOTOLUENE, p-Methylphenyl bromide, Toluene, 4-bromo-, Benzene, 1-bromo-4-methyl-, 1-Methyl-4-bromobenzene, 4-Bromo-1-methylbenzene, 4-Methyl-1-bromobenzene, 4-Methylphenyl bromide, CCRIS 5983, B82200_ALDRICH, HSDB 6015, NSC 6531

Molecular Formula: C7H7BrMolecular Weight: 171.034480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ZBTMRBYMKUEVEU-UHFFFAOYSA-N

• 4-Chloro-3-Sulfamoyl Benzoic Acid
IUPAC Name: 4-chloro-3-sulfamoylbenzoic acid | CAS Registry Number: 1205-30-7
Synonyms: CSBA, 4-Chloro-3-sulfamoylbenzoic acid, Sulfamido-3-chlorobenzoic acid, Oprea1_356117, 4-Chloro-5-sulphamoylbenzoic acid, 293598_ALDRICH, EINECS 214-882-1, CID14568, BRN 2118346, Benzoic acid, 3-(aminosulfonyl)-4-chloro-, BENZOIC ACID, 4-CHLORO-3-SULFAMOYL-, LS-36653, TL806358, ST5319885

Molecular Formula: C7H6ClNO4SMolecular Weight: 235.644840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: FHQAWINGVCDTTG-UHFFFAOYSA-N

• 4-Chlorophenol
IUPAC Name: 4-chlorophenol | CAS Registry Number: 106-48-9
Synonyms: p-Chlorophenol, parachlorophenol, 4-CHLOROPHENOL, Phenol, 4-chloro-, 4-Monochlorophenol, 4-Hydroxychlorobenzene, Phenol, p-chloro-, p-Chlorfenol, 3-Chlorophenol, p-Chlorophenic acid, Applied 3-78, p-Chlorfenol [Czech], para-monochlorophenol, Spectrum_000939, 4-Chlorophenol solution, Parachlorophenol [USP], 4-Chloro-1-hydroxybenzene, C6H5ClO, Spectrum2_000968, Spectrum3_000539

Molecular Formula: C6H5ClOMolecular Weight: 128.556300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WXNZTHHGJRFXKQ-UHFFFAOYSA-N

• 4-Methyoxy Benzyl Cyanide
IUPAC Name: 2-(4-methoxyphenyl)acetonitrile | CAS Registry Number: 104-47-2
Synonyms: Anisylacetonitrile, p-Methoxybenzyl cyanide, 4-Methoxyphenylacetonitrile, p-Methoxyphenylacetonitrile, p-Methoxybenzeneacetonitrile, Benzeneacetonitrile, 4-methoxy-, 4-Methoxybenzyl cyanide, Acetonitrile, (p-methoxyphenyl)-, NSC 96, NSC96, (4-methoxyphenyl)acetonitrile, 169986_ALDRICH, EINECS 203-206-0, BRN 0509162, ZINC00157051, LS-13281, SB 01293, 4-10-00-00555 (Beilstein Handbook Reference)

Molecular Formula: C9H9NOMolecular Weight: 147.173860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PACGLQCRGWFBJH-UHFFFAOYSA-N

• 5-Mercapto-1-Methyl-Ih-Tetrazole
IUPAC Name: 1-methyl-2H-tetrazole-5-thione | CAS Registry Number: 13183-79-4
Synonyms: N-Methyltetrazolethiol, 5-Mercapto-1-methyltetrazole, 1-Methyl-5-mercaptotetrazole, 1-Methyl-5-tetrazolethione, 1-Methyl-5-tetrazolinethione, 1-N-Methyl-5-thiotetrazole, 1-Methyl-1H-tetrazole-5-thiol, 1-Methyltetrazole-5-thiol, 1-Methyl-5-mercapto-1H-tetrazole, 1H-Tetrazole-5-thiol, 1-methyl-, 357871_ALDRICH, EINECS 236-132-2, NSC 520787, 1-Methyl-5-mercapto-1,2,3,4-tetrazole, NSC520787, ZINC03843103, ZINC04533852, 5H-Tetrazole-5-thione, 1,2-dihydro-1-methyl-, 1,2-Dihydro-1-methyl-5H-tetrazole-5-thione, LS-149189

Molecular Formula: C2H4N4SMolecular Weight: 116.144960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XOHZHMUQBFJTNH-UHFFFAOYSA-N

• 9-Fluorenemethanol
IUPAC Name: 9H-fluoren-9-ylmethanol | CAS Registry Number: 24324-17-2
Synonyms: 9-Fluorenylmethanol, Fluorene-9-methanol, 9H-Fluorene-9-methanol, (Fluoren-9-yl)methanol, 9H-Fluoren-9-ylmethanol, 9-(Hydroxymethyl)fluorene, ChemDiv3_002715, 160504_ALDRICH, ZINC01004778, CID90466, EINECS 246-167-5, SBB008508, FR-2190, EU-0076483, F-2870, AN-512/13501009

Molecular Formula: C14H12OMolecular Weight: 196.244480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XXSCONYSQQLHTH-UHFFFAOYSA-N

• 4-Hydroxybenzophenone
IUPAC Name: (4-hydroxyphenyl)-phenylmethanone | CAS Registry Number: 1137-42-4
Synonyms: p-Benzoylphenol, 4-Benzoylphenol, P-HYDROXYBENZOPHENONE, Benzophenone, 4-hydroxy-, 4'-Hydroxybenzophenone, para-hydroxybenzophenone, (4-Hydroxyphenyl)phenylmethanone, Methanone, (4-hydroxyphenyl)phenyl-, (4-Hydroxyphenyl)(phenyl)methanone, H20202_ALDRICH, nchembio.2007.32-comp8, 4-HYDROXY-BENZOPHENONE, NSC 1887, 4-hydroxybenzophenone, ion(1-), 54800_FLUKA, EINECS 214-507-1, NSC1887, STK045122, ZINC00388760, AI3-00862

Molecular Formula: C13H10O2Molecular Weight: 198.217300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NPFYZDNDJHZQKY-UHFFFAOYSA-N

• 2,4,5-Trifluoronitrobenzene
IUPAC Name: 1,2,4-trifluoro-5-nitrobenzene | CAS Registry Number: 2105-61-5
Synonyms: Ambap4493, 1,2,4-Trifluoro-5-nitrobenzene, 258970_ALDRICH, 5-Nitro-1,2,4-trifluorobenzene, Benzene, 1,2,4-trifluoro-5-nitro-, NSC10248, EINECS 218-281-5, ZINC01706149, TL8001743

Molecular Formula: C6H2F3NO2Molecular Weight: 177.080790 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ROJNMGYMBLNTPK-UHFFFAOYSA-N

• 3-Chlorophenyl Isocyanate
IUPAC Name: 1-chloro-3-isocyanatobenzene | CAS Registry Number: 2909-38-8
Synonyms: m-Chlorophenyl isocyanate, 3-Chloroisocyanatobenzene, 1-Chloro-3-isocyanatobenzene, Benzene, 1-chloro-3-isocyanato-, 3-CHLOROPHENYL ISOCYANATE, WLN: OCNR CG, Isocyanic acid, m-chlorophenyl ester, 3-Isocyanato chlorobenzene, m-Chlorfenylisokyanat [Czech], 245682_ALDRICH, 25990_FLUKA, EINECS 220-822-5, NSC 76588, NSC76588, ZINC01707959, LS-84438

Molecular Formula: C7H4ClNOMolecular Weight: 153.565760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HHIRBXHEYVDUAM-UHFFFAOYSA-N

• 4-Chloro-A-(1-Methylethyl) Benzene Acetic Acid
IUPAC Name: 2-(4-chlorophenyl)-3-methylbutanoic acid | CAS Registry Number: 2012-74-0
Synonyms: Enamine_004948, 2-(p-Chlorophenyl)-3-methylbutyric acid, 537217_ALDRICH, 2-(4-Chlorophenyl)-3-methylbutyric acid, CHEBI:39345, EINECS 217-934-1, alpha-Isopropyl-p-chlorophenylacetic acid, CID16197, .alpha.-(p-Chlorophenyl)isovaleric acid, SBB008321, FR-1226, IDI1_007535, LS-47923, 2-(4-Chlorophenyl)-3-methylbutanoic acid, Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, BUTYRIC ACID, 2-(p-CHLOROPHENYL)-3-METHYL-, 55291-27-5

Molecular Formula: C11H13ClO2Molecular Weight: 212.672720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VTJMSIIXXKNIDJ-UHFFFAOYSA-N

• 2-Chloro-3-Methylthiophene
IUPAC Name: 2-chloro-3-methylthiophene | CAS Registry Number: 14345-97-2
Synonyms: 2-Chloro-3-methylthiophene, 648760_ALDRICH, ZINC02504556, CID84365, EINECS 238-296-0, TL8000954

Molecular Formula: C5H5ClSMolecular Weight: 132.611200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: KQFADYXPELMVHE-UHFFFAOYSA-N

• 2-Ethyl Hexanoic Acid
IUPAC Name: 2-ethylhexanoic acid | CAS Registry Number: 149-57-5
Synonyms: Ethylhexoic acid, Ethylhexanoic acid, 2-Ethylcaproic acid, Sinesto B, 2-Ethylhexoic acid, Butylethylacetic acid, Hexanoic acid, 2-ethyl-, 2-ETHYLHEXANOIC ACID, 2-Ethylhexansaeure, 2-Butylbutanoic acid, Ethyl hexanoic acid, 3-Heptanecarboxylic acid, alpha-Ethylcaproic acid, .alpha.-Ethylcaproic acid, 2-ethyl-hexoic acid, 2-ethyl-hexanoic acid, Ethyl hexanoic acid, 2-, alpha-ethyl caproic acid, .alpha.-Ethylhexanoic acid, (R)-2-Ethylhexanoic acid

Molecular Formula: C8H16O2Molecular Weight: 144.211440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OBETXYAYXDNJHR-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

• 4-Chlorobenzaldehyde
IUPAC Name: 4-chlorobenzaldehyde | CAS Registry Number: 104-88-1
Synonyms: Benzaldehyde, p-chloro-, P-CHLOROBENZALDEHYDE, Benzaldehyde, 4-chloro-, 4-Chlorobenzenaldehyde, PCAD, p-Chlorobenzenecarboxaldehyde, 4-chlorobenzoic aldehyde, CCRIS 857, 112216_ALDRICH, NSC 2078, 23491_FLUKA, EINECS 203-247-4, NSC2078, c0418, LS-382, ZINC00896325, AI3-52280, NCGC00091804-01, ST5213377, C06648

Molecular Formula: C7H5ClOMolecular Weight: 140.567000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AVPYQKSLYISFPO-UHFFFAOYSA-N

• 4-Hydroxy-N-Methyl Piperidine
IUPAC Name: 1-methylpiperidin-4-ol | CAS Registry Number: 106-52-5
Synonyms: N-Methylpiperidol, N-Methyl-4-piperidinol, 1-Methyl-4-piperidinol, 1-Methyl-4-hydroxypiperidine, 4-Hydroxy-N-methylpiperidine, 4-Hydroxy-1-methylpiperidine, 1-Methylpiperidin-4-ol, 4-Piperidinol, 1-methyl-, N-Methyl-4-hydroxypiperidine, H42206_ALDRICH, NSC60705, EINECS 203-406-8, NSC 60705, SBB004301, AI3-27594, TL8000233

Molecular Formula: C6H13NOMolecular Weight: 115.173520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BAUWRHPMUVYFOD-UHFFFAOYSA-N

• 1,2,4 Triazole
IUPAC Name: 1H-1,2,4-triazole | CAS Registry Number: 288-88-0
Synonyms: s-Triazole, 1H-1,2,4-Triazole, 1,2,4-TRIAZOLE, 4H-1,2,4-triazole, 1H-1.2.4-Triazole, MET1075A_SUPELCO, T46108_ALDRICH, 4H-1,2,4-Triazole (VAN), C2H3N3, CHEBI:35550, CHEBI:46077, EINECS 206-022-9, NSC 83128, AIDS023082, AIDS-023082, NSC83128, ZINC04897205, AI3-51031, DB03594, LS-155746

Molecular Formula: C2H3N3Molecular Weight: 69.065320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NSPMIYGKQJPBQR-UHFFFAOYSA-N

• 2,4-Dichloro-3,5-Dinitrobenzotrifluoride
IUPAC Name: 2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)benzene | CAS Registry Number: 29091-09-6
Synonyms: ZINC02168652, CID94398, EINECS 249-420-8, 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene, Benzene, 2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)-

Molecular Formula: C7HCl2F3N2O4Molecular Weight: 304.995050 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: DPQYRXNRGNLPFC-UHFFFAOYSA-N

• 4-Diethylaminobenzaldehyde
IUPAC Name: 4-(diethylamino)benzaldehyde | CAS Registry Number: 120-21-8
Synonyms: 4-(Diethylamino)benzaldehyde, DEABZ, Benzaldehyde, 4-(diethylamino)-, p-(Diethylamino)benzaldehyde, p-Formyl-N,N-diethylaniline, p-Diethylaminobenzaldhyde, Benzaldehyde, p-(diethylamino)-, D86256_ALDRICH, p-DIETHYLAMINOBENZALDEHYDE, NSC 8782, EINECS 204-377-4, NSC8782, AIDS019985, BENZALDEHYDE,4-DIETHYLAMINO, AIDS-019985, ZINC00157147, AI3-05886, Benzaldehyde, p-(diethylamino)- (8CI), LS-24998, TL806232

Molecular Formula: C11H15NOMolecular Weight: 177.242900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MNFZZNNFORDXSV-UHFFFAOYSA-N

• 3- Dimethylaminopropan-1-Ol
IUPAC Name: 3-(dimethylamino)propan-1-ol | CAS Registry Number: 3179-63-3
Synonyms: dmap, Dimethylaminopropanol, Dimethylpropanolamine, N,N-Dimethylpropanolamine, 3-(Dimethlyamino)propanol, 3-(Dimethylamino)propanol, 1-Dimethylamino-3-propanol, 3-Dimethylaminopropanol, 1-Propanol, 3-(dimethylamino)-, 3-Dimethylamino-1-propanol, 3-Dimethylaminopropan-1-ol, 3-(Dimethylamino)-1-propanol, N,N-Dimethylaminopropanol, 3-(N,N-Dimethylamino)propanol, gamma-(Dimethylamino)propanol, .gamma.-(Dimethylamino)propanol, N,N-Dimethyl-3-hydroxypropylamine, 3-(Dimethylamino)1-propanol, 3-(N,N-Dimethylamino)-1-propanol, N,N-Dimethyl-gamma-aminopropanol

Molecular Formula: C5H13NOMolecular Weight: 103.162820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PYSGFFTXMUWEOT-UHFFFAOYSA-N

• 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane
IUPAC Name: 2,5-dimethyl-1,4-dithiane-2,5-diol | CAS Registry Number: 55704-78-4
Synonyms: 2-Mercaptopropanone, FEMA No. 3450, EINECS 259-770-3, 2,5-Dimethyl-p-dithiane-2,5-diol, NSC 176174, 1,4-Dithiane-2,5-diol, 2,5-dimethyl-, 2,5-Dimethyl-1,4-dithiane-2,5-diol, 2,5-Dimethyl-2,5-dihydroxy-p-dithiane, NSC176174, LS-2681, ST5405404

Molecular Formula: C6H12O2S2Molecular Weight: 180.288280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NHKIYYMFGJBOTK-UHFFFAOYSA-N

• 1,5,6,7-Tetrahydro-4H-indol-4-one
IUPAC Name: 1,5,6,7-tetrahydroindol-4-one | CAS Registry Number: 13754-86-4
Synonyms: 357839_ALDRICH, NSC131681, 1,5,6,7-Tetrahydro-4-indolone, CID280229, ZINC00389705, 8P-059, InChI=1/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H

Molecular Formula: C8H9NOMolecular Weight: 135.163160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KASJZXHXXNEULX-UHFFFAOYSA-N

• 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
IUPAC Name: 5-chloro-1,3-dimethylpyrazole-4-carbaldehyde | CAS Registry Number: 27006-76-4
Synonyms: ZINC00159843, SBB005568, CID2777397

Molecular Formula: C6H7ClN2OMolecular Weight: 158.585580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SZRSMNYUEXXEBL-UHFFFAOYSA-N

• 1,1-Bis(Methylthio)-2-Nitroethylene
IUPAC Name: 1,1-bis(methylsulfanyl)-2-nitroethene | CAS Registry Number: 13623-94-4
Synonyms: Nitroketene dimethyl mercaptal, 1,1-Bis(methylthio)-2-nitroethylene, 279706_ALDRICH, CID83623, EINECS 237-108-4, NSC241513, ZINC01763921, 1-Nitro-2,2-bis(methylthio)ethylene, BBV-181843, NSC 241513, Ethene, 1,1-bis(methylthio)-2-nitro-, I03-0090

Molecular Formula: C4H7NO2S2Molecular Weight: 165.233880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NXGHEDHQXXXTTP-UHFFFAOYSA-N

• 2,2-Dimethyl Butyric Acid
IUPAC Name: 2,2-dimethylbutanoic acid | CAS Registry Number: 595-37-9
Synonyms: Neohexanoic acid, 2,2-Dimethylbutanoic acid, 2,2-Dimethyl butanoic acid, 2,2-DIMETHYLBUTYRIC ACID, Butyric acid, 2,2-dimethyl-, Butanoic acid, 2,2-dimethyl-, dimethyl ethyl acetic acid, 2,2-dimethyl-butanoic acid, MLS002174247, D152609_ALDRICH, alpha,alpha-Dimethylbutyric acid, alpha,alpha-Dimethylbutanoic acid, CHEBI:38649, NSC16045, EINECS 209-865-0, LMFA01020078, .alpha.,.alpha.-Dimethylbutyric acid, .alpha.,.alpha.-Dimethylbutanoic acid, NCGC00090948-01, SL-00458

Molecular Formula: C6H12O2Molecular Weight: 116.158280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VUAXHMVRKOTJKP-UHFFFAOYSA-N

• 2,6-Dichlorotoluene
IUPAC Name: 1,3-dichloro-2-methylbenzene | CAS Registry Number: 118-69-4
Synonyms: Toluene, 2,6-dichloro-, 2,6-DICHLOROTOLUENE, Benzene, 1,3-dichloro-2-methyl-, D76005_ALDRICH, 45974_RIEDEL, NSC60722, 36550_FLUKA, HSDB 4020, CID8368, Toluene, 2,6-dichloro- (8CI), EINECS 204-269-7, NSC 60722, NCGC00163990-01, AI3-26487, ST5406294, InChI=1/C7H6Cl2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H

Molecular Formula: C7H6Cl2Molecular Weight: 161.028540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: DMEDNTFWIHCBRK-UHFFFAOYSA-N

• 2-Hydroxy Quinoxaline
IUPAC Name: 1H-quinoxalin-2-one | CAS Registry Number: 1196-57-2
Synonyms: Quinoxalin-2-one, 3-Quinoxalinone, 2-Quinoxalone, 2(1H)-Quinoxalinone, 2-Hydroxyquinoxaline, 2-Quinoxalinone, 2-QUINOXALINOL, quinoxalin-2-ol, 2-HYDROXY QUINOXALINE, 260517_ALDRICH, WLN: T66 BN ENJ CQ, EINECS 214-815-6, NSC 13154, NSC13154, ZINC00330529, AI3-22771, LS-143066, ST5438226, AB-323/25048501, InChI=1/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11

Molecular Formula: C8H6N2OMolecular Weight: 146.146040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FFRYUAVNPBUEIC-UHFFFAOYSA-N

• 2-Methyl-6-Ethyl Aniline
IUPAC Name: 2-ethyl-6-methylaniline | CAS Registry Number: 24549-06-2
Synonyms: 6-Ethyl-o-toluidine, 6-Ethyl-2-toluidine, 2-ETHYL-6-METHYLANILINE, o-Toluidine, 6-ethyl-, 2-Methyl-6-ethylaniline, Benzenamine, 2-ethyl-6-methyl-, 2-Methyl-6-ethyl aniline, 3-Ethyl-2-aminotoluene, Aniline, 2-methyl-6-ethyl-, 157724_ALDRICH, EINECS 246-309-6, BRN 2079468, ZINC02014545, LS-19888, ST5213723, C 25702, 4-12-00-02638 (Beilstein Handbook Reference), InChI=1/C9H13N/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3,10H2,1-2H

Molecular Formula: C9H13NMolecular Weight: 135.206220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JJVKJJNCIILLRP-UHFFFAOYSA-N

• 5-Chloro-(2-Methylaminobenzophenone)
IUPAC Name: [5-chloro-2-(methylamino)phenyl]-phenylmethanone | CAS Registry Number: 1022-13-5
Synonyms: 5-Chloro-2-(methylamino)benzophenone, Oprea1_680102, 191353_ALDRICH, 2-Methylamino-5-chlorobenzophenone, EINECS 213-822-1, BRN 0882187, ZINC00243148, BENZOPHENONE, 5-CHLORO-2-(METHYLAMINO)-, LS-38886, (5-Chloro-2-(methylamino)phenyl)phenylmethanone, TL8000117, Methanone, (5-chloro-2-(methylamino)phenyl)phenyl-, Methanone, [5-chloro-2-(methylamino)phenyl]phenyl-, T5652306

Molecular Formula: C14H12ClNOMolecular Weight: 245.704180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WPNMLCMTDCANOZ-UHFFFAOYSA-N

• 5-Fluorouridine
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione | CAS Registry Number: 316-46-1
Synonyms: FUrd, 5-Fluoro-uridine, 5-Fur, Uridine, 5-fluoro-, F5130_SIGMA, EINECS 206-260-3, 5-Fluorouracil 1beta-D-ribofuranoside, AIDS008705, NSC 146604, AIDS-008705, BRN 0033662, ZINC01078624, DB01629, NCGC00142485-01, 5-Fluoro-1-.beta.-D-ribofuranosyluracil, ST056943, LS-160834, C16633, 4-24-00-01231 (Beilstein Handbook Reference), Fur

Molecular Formula: C9H11FN2O6Molecular Weight: 262.191843 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: FHIDNBAQOFJWCA-UAKXSSHOSA-N

• 5-Nitro Methyl Isophthalate
IUPAC Name: dimethyl 5-nitrobenzene-1,3-dicarboxylate | CAS Registry Number: 13290-96-5
Synonyms: Dimethyl 5-nitroisophthalate, Ambap1748, 237361_ALDRICH, 36614_RIEDEL, EINECS 236-307-3, 5-Nitroisophthalic acid, dimethyl ester, NSC 93786, NSC93786, BRN 2140916, ZINC00056579, Dimethyl 5-nitro-1,3-benzenedicarboxylate, 1,3-Benzenedicarboxylic acid, 5-nitro-, dimethyl ester, LS-29788, Dimethyl 5-nitrobenzene-1,3-dicarboxylate, Isophthalic acid, 5-nitro-, dimethyl ester, ST5307157, 4-09-00-03299 (Beilstein Handbook Reference), Isophthalic acid, 5-nitro-, dimethyl ester (6CI,7CI,8CI)

Molecular Formula: C10H9NO6Molecular Weight: 239.181560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: GGTSJKFPGKFLCZ-UHFFFAOYSA-N

• 3-Amino-5-Mercapto-1,2,4-Triazole
IUPAC Name: 5-amino-1,2-dihydro-1,2,4-triazole-3-thione | CAS Registry Number: 16691-43-3
Synonyms: Iminothiourazole, 3-Imino-5-thiourazole, s-Triazole-3-thiol, 5-amino-, 3-Amino-5-mercapto-1,2,4-triazole, 3-Amino-1,2,4-triazole-5-thiol, ENT 61388, 140260_ALDRICH, EINECS 240-735-6, TOS-BB-1188, NSC 145149, 1,2,4-Triazolidine-3-thione, 5-imino-, NSC34807, 1,2-Triazolidine-3-thione, 5-imino-, NSC145149, ZINC03861092, ZINC04289077, ZINC04522749, AI3-61388, CID2723869, 3H-1,2,4-Triazole-3-thione, 5-amino-1,2-dihydro-

Molecular Formula: C2H4N4SMolecular Weight: 116.144960 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: WZUUZPAYWFIBDF-UHFFFAOYSA-N

• 3-Noradamantanecarboxylic Acid
Synonyms: ZINC04282762, ZINC04282753, CID11887833

Molecular Formula: C10H13O2-Molecular Weight: 165.209020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RXUUYFUQAGICCD-NLZKFAMNSA-M

• 4,6-Dihydroxy-2-methylmercaptopyrimide
IUPAC Name: 4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one | CAS Registry Number: 1979-98-2
Synonyms: Maybridge4_004721, D114804_ALDRICH, 2-Methylthiopyrimidine-4,6-diol, 2-Methylthio-4,6-pyrimidinedione, NSC44557, EINECS 217-839-5, ZINC00155003, ZINC01995082, SDCCGMLS-0064589.P001, 4,6-Dihydroxy-2-(methylthio)pyrimidine, 4,6-Dihydroxy-2-methylmercaptopyrimidine, NCGC00175598-01, 4,6-Dihydroxy-2-(methylmercapto)pyrimidine, ST5101852, 4(1H)-Pyrimidinone, 6-hydroxy-2-(methylthio)-, 4,6-DIHYDROXY-2-METHYL-MERCAPTOPYRIMIDINE

Molecular Formula: C5H6N2O2SMolecular Weight: 158.178340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AEXCUJUYEZIWJV-UHFFFAOYSA-N

• 1-Adamantanemethylamine
IUPAC Name: 1-adamantylmethanamine | CAS Registry Number: 17768-41-1
Synonyms: 1-(Aminomethyl)adamantane, 1-(1-adamantyl)methanamine, Oprea1_307760, 180378_ALDRICH, IFLab1_006466, STOCK1S-59919, ZERO/001761, AIDS211746, AIDS-211746, ALBB-001490, EINECS 241-752-1, NSC285231, Tricyclo[3.3.1.1]decane-1-methanamine, Tricyclo(3.3.1.13,7)dec-1-ylmethylamine, Tricyclo[3.3.1.1(3,7)-]decane-1-methanamine

Molecular Formula: C11H19NMolecular Weight: 165.275260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XSOHXMFFSKTSIT-UHFFFAOYSA-N

• 2-Amino-2-methylpropane nitrile
IUPAC Name: 2-amino-2-methylpropanenitrile | CAS Registry Number: 19355-69-2
Synonyms: 2-Aminoisobutyronitrile, 2-Cyanoisopropylamine, Vazo 64AN, Aminodimethylacetonitrile, alpha-Aminoisobutyronitrile, 2-Amino-2-methylpropanenitrile, 2-Amino-2-methylpropiononitrile, .alpha.-Aminoisobutyronitrile, Propanenitrile, 2-amino-2-methyl-, Propionitrile, 2-amino-2-methyl-, EINECS 242-989-3, LS-120848, ST5101636, Propionitrile, 2-amino-2-methyl- (6CI,7CI,8CI)

Molecular Formula: C4H8N2Molecular Weight: 84.119720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JQULXIOYDDCNGR-UHFFFAOYSA-N

• 7-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)thiomethyl]cephalosphoranic acid
IUPAC Name: (7R)-7-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 30246-33-4
Synonyms: EINECS 250-099-1, 7-AMINO-3-((5-METHYL-1,3,4-THIAZOL-2-YL)-THIOMETHYL)-CEPH-3-EM-4-CARBOXYLIC ACID, (6R-trans)-7-Amino-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

Molecular Formula: C11H12N4O3S3Molecular Weight: 344.432980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: HJSGHKMSDOLGJJ-VJSCVCEBSA-N

• 2,6-Dimethoxybenzoic acid
IUPAC Name: 2,6-dimethoxybenzoic acid | CAS Registry Number: 1466-76-8
Synonyms: 2,6-DIMETHOXYBENZOIC ACID, Benzoic acid, 2,6-dimethoxy-, D131601_ALDRICH, EINECS 215-985-4, NSC 28591, AIDS018090, AIDS-018090, NSC28591, LS-37121, ST5213894, InChI=1/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MBIZFBDREVRUHY-UHFFFAOYSA-N

• 2-Amino-4,6-Dimethoxy-1,3,5-Triazine
IUPAC Name: 4,6-dimethoxy-1,3,5-triazin-2-amine | CAS Registry Number: 16370-63-1
Synonyms: Maybridge1_006177, NSC100284, CID27840, ZINC00967443, 4,6-dimethoxy-1,3,5-triazin-2-amine, RF 03347, 2-AMINO-4,6-DIMETHOXY-S-TRIAZINE, AG-664/25040004, SR-01000632706-1

Molecular Formula: C5H8N4O2Molecular Weight: 156.142620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: KVHFZZUPCXCRIX-UHFFFAOYSA-N

• 3-Methyl-3-Pentanol
IUPAC Name: 3-methylpentan-3-ol | CAS Registry Number: 77-74-7
Synonyms: 3-Methylpentan-3-ol, 3-METHYL-3-PENTANOL, 3-Pentanol, 3-methyl-, Methyldiethylcarbinol, Diethyl methyl carbinol, Methyldiaethylcarbinol [German], M66900_ALDRICH, W508209_ALDRICH, 3-Methyl-pentanol-(3) [German], 68420_FLUKA, EINECS 201-053-4, CID6493, NSC 75837, NSC75837, BRN 1731456, LS-101903, 4-01-00-01723 (Beilstein Handbook Reference)

Molecular Formula: C6H14OMolecular Weight: 102.174760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: FRDAATYAJDYRNW-UHFFFAOYSA-N

• 1-Acetyladamantane
IUPAC Name: 1-(1-adamantyl)ethanone | CAS Registry Number: 1660-04-4
Synonyms: 1-Adamantyl methyl ketone, Ambap2137, 148237_ALDRICH, EINECS 216-761-9, SBB008487, ZINC03861155, FR-2164, Ethanone, 1-tricyclo[3.3.1.1(3,7)-]dec-1-yl-, Ethanone, 1-tricyclo(3.3.1.13,7)dec-1-yl-, Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone

Molecular Formula: C12H18OMolecular Weight: 178.270720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DACIGVIOAFXPHW-UHFFFAOYSA-N

• 1-Bromo-2-Chloroethane
IUPAC Name: 1-bromo-2-chloroethane | CAS Registry Number: 107-04-0
Synonyms: Ethylene chlorobromide, s-Chlorobromoethane, 2-Bromoethyl chloride, 2-Chloroethyl bromide, 1-Chloro-2-bromoethane, 2-Bromo-1-chloroethane, sym-Chlorobromoethane, Ethane, 1-bromo-2-chloro-, 1-BROMO-2-CHLOROETHANE, beta-Chloroethyl bromide, 1,2-Bromochloroethane, 1,2-Chlorobromoethane, Caswell No. 436B, Ethylene bromochloride, .beta.-Chloroethyl bromide, CCRIS 816, WLN: G2E, HSDB 6121, 232750_ALDRICH, 16621_FLUKA

Molecular Formula: C2H4BrClMolecular Weight: 143.410160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: IBYHHJPAARCAIE-UHFFFAOYSA-N

• 2-Amino-5-nitrobenzophenone
IUPAC Name: (2-amino-5-nitrophenyl)-phenylmethanone | CAS Registry Number: 1775-95-7
Synonyms: Oprea1_660099, 211737_ALDRICH, EINECS 217-207-9, ZINC03861498, (2-Amino-5-nitrophenyl)phenylmethanone, CID15681, BRN 0748830, SBB000821, METHANONE, (2-AMINO-5-NITROPHENYL)PHENYL-, (2-amino-5-nitrophenyl)(phenyl)methanone, LS-91113, ST5308434, 4-14-00-00246 (Beilstein Handbook Reference)

Molecular Formula: C13H10N2O3Molecular Weight: 242.230100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PZPZDEIASIKHPY-UHFFFAOYSA-N

• 3-Amino-5-methylisoxazole
IUPAC Name: 5-methyl-1,2-oxazol-3-amine | CAS Registry Number: 1072-67-9
Synonyms: 5-Methyl-3-isoxazolamine, 3-Isoxazolamine, 5-methyl-, 3-Methyl-5-aminoisoxazole, 5-Methyl-3-aminoisoxazole, Isoxazole, 3-amino-5-methyl-, 5-Methylisoxazol-3-ylamine, 5-methylisoxazol-3-amine, 232270_ALDRICH, EINECS 214-013-6, NSC159134, NSC 159134, 3-AMINO-5-METHYL ISOXAZOLE, CID66172, SBB005553, ZINC01610351, AI3-62721, Isoxazole, 3-amino-5-methyl- (8CI), SDCCGMLS-0066220.P001, LS-195291, InChI=1/C4H6N2O/c1-3-2-4(5)6-7-3/h2H,1H3,(H2,5,6

Molecular Formula: C4H6N2OMolecular Weight: 98.103240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FKPXGNGUVSHWQQ-UHFFFAOYSA-N


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