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Profile: The New Century Chemical & Pharmaceutical Enterprise offers 5-hydroxymethylfurfural, 2-methyl-2-propanethiol, ursolic acid, 2-formyl-3,4-dihydro-2H-pyran, 4-bromo-3-nitrobenzotrifluoride, 3-methoxy-5-(trifluoromethyl)aniline, 4-bromo-1-fluoro-2-nitrobenzene, artemisin and isonipecotic acid.

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• 3,5-Dichloroacetophenone
IUPAC Name: 1-(3,5-dichlorophenyl)ethanone | CAS Registry Number: 14401-72-0
Synonyms: 3',5'-Dichloroacetophenone, 1-(3,5-dichlorophenyl)ethanone, 1-acetyl-3,5-dichlorobenzene, 1-(3,5-dichlorophenyl)ethan-1-one, Ethanone, 1-(3,5-dichlorophenyl)-, SBB055399, ZINC04254315, PubChem3389, AC1MBXAH, SureCN111207, CTK4C3898, MolPort-000-153-934, ACT00188, Ethanone,1-(3,5-dichlorophenyl)-, ANW-53798, AKOS006345269, 1-[3,5-bis(chloranyl)phenyl]ethanone, AB02007, AG-A-46527, AG-D-86899

Molecular Formula: C8H6Cl2OMolecular Weight: 189.038640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JGMBBKVZFUHCJC-UHFFFAOYSA-N

• 3-Nitro-O-Cresol
IUPAC Name: 2-methyl-3-nitrophenol | CAS Registry Number: 5460-31-1
Synonyms: 2-Methyl-3-nitrophenol, 3-Nitro-o-cresol, Phenol, 2-methyl-3-nitro-, 2-Hydroxy-6-nitrotoluene, 6-Hydroxy-2-nitrotoluene, 106941_ALDRICH, 3-NITRO-2-METHYL PHENOL, NSC25009, EINECS 226-739-0, SBB008485, ZINC00163570, FR-2158, TL8003577, InChI=1/C7H7NO3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H

Molecular Formula: C7H7NO3Molecular Weight: 153.135380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GAKLFAZBKQGUBO-UHFFFAOYSA-N

• 4-Cyanobenzoic Acid Methyl Ester
IUPAC Name: methyl 4-cyanobenzoate | CAS Registry Number: 1129-35-7
Synonyms: Methyl 4-cyanobenzoate, 230634_ALDRICH, 4-Cyanobenzoic acid methyl ester, EINECS 214-443-4, Benzoic acid, p-cyano-, methyl ester, Benzoic acid, 4-cyano-, methyl ester, ZINC00155229, LS-184908, ST5407998, AC-907/25014377, InChI=1/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,1H

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: KKZMIDYKRKGJHG-UHFFFAOYSA-N

• 4-trifluoromethyl thiobenzamide
IUPAC Name: 4-(trifluoromethyl)benzenecarbothioamide | CAS Registry Number: 72505-21-6
Synonyms: 4-(Trifluoromethyl)thiobenzamide, Maybridge1_006395, 4-(Trifluoromethyl)benzenecarbothioamide, ZINC00076923, RF 03219, T293, TL8005066

Molecular Formula: C8H6F3NSMolecular Weight: 205.200150 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IPRFNMJROWWFBH-UHFFFAOYSA-N

• 2-Methyl-5-Nitrobenzoic acid
IUPAC Name: 2-methyl-5-nitrobenzoic acid | CAS Registry Number: 1975-52-6
Synonyms: 5-Nitro-o-toluic acid, Ambap1570, 2-METHYL-5-NITROBENZOIC ACID, 638307_ALDRICH, Benzoic acid, 2-methyl-5-nitro-, EINECS 217-829-0, LS-977, ST5405392, TL8001620

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

InChIKey: DJRFJAVPROZZFL-UHFFFAOYSA-N

• 1-Bromonaphthalene
IUPAC Name: 1-bromonaphthalene | CAS Registry Number: 90-11-9
Synonyms: Naphthalene, 1-bromo-, 1-Naphthyl bromide, 1-BROMONAPHTHALENE, alpha-Bromonaphthalene, .alpha.-Bromonaphthalene, alpha-Naphthyl bromide, .alpha.-Naphthyl bromide, 1-Bromonaphthalene solution, B73104_ALDRICH, NSC 6551, 17640_FLUKA, 17650_FLUKA, EINECS 201-965-2, NSC6551, BRN 1906414, AI3-02271, LS-94439, ST5406316, 4-05-00-01665 (Beilstein Handbook Reference), InChI=1/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7

Molecular Formula: C10H7BrMolecular Weight: 207.066580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: DLKQHBOKULLWDQ-UHFFFAOYSA-N

• 3-Hydroxy-4-Nitro Benzoic Acid
IUPAC Name: 3-hydroxy-4-nitrobenzoic acid | CAS Registry Number: 619-14-7
Synonyms: 3-Hydroxy-4-nitrobenzoic acid, 4-Nitro-3-hydroxybenzoic acid, H48409_ALDRICH, NSC46823, 55970_FLUKA, CID69265, EINECS 210-580-9, SB 01945, TL806454, ST5406352, InChI=1/C7H5NO5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11

Molecular Formula: C7H5NO5Molecular Weight: 183.118300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: XLDLRRGZWIEEHT-UHFFFAOYSA-N

• 2-Aminobenzamide
IUPAC Name: 2-aminobenzamide | CAS Registry Number: 88-68-6
Synonyms: Anthranilamide, o-Aminobenzamide, Aminobenzamide, Benzamide, 2-amino-, 2-AMINOBENZAMIDE, Benzamide, o-amino-, Anthranilimidic acid, 2-Carbamoylaniline, Anthranilamide (VAN), Anthranilic acid amide, o-Aminobenzamide (VAN), 2-Aminobenzamide (VAN), Anthranilimidic acid (VAN), Oprea1_246280, A89804_ALDRICH, Benzoic acid, 2-amino-, amide, Benzamide, o-amino- (VAN), HSDB 5261, MLS001066328, 2-AB

Molecular Formula: C7H8N2OMolecular Weight: 136.151220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PXBFMLJZNCDSMP-UHFFFAOYSA-N

• 6-Bromoindole-3-carboxaldehyde
IUPAC Name: 6-bromo-1H-indole-3-carbaldehyde | CAS Registry Number: 17826-04-9
Synonyms: 6-Bromo-1H-indole-3-carbaldehyde, 6-Bromo-3-formylindole, 6-bromoindole-3-carbaldehyde, 6-bromo-1H-indole-3-carboxaldehyde, AG-E-28458, ZINC02569373, PubChem7691, AC1MDRZX, ACMC-209ee9, KSC536O3D, 666416_ALDRICH, CTK4D6731, WCCLQCBKBPTODV-UHFFFAOYSA-, ELLANOVALABS 12-5305, MolPort-000-141-132, BB_NC-2468, 6-BROMINDOL-3-CARBALDEHYDE, ACN-S002826, 6-bromanyl-1H-indole-3-carbaldehyde, 6-BROMO-3-FORMYL-1H-INDOLE

Molecular Formula: C9H6BrNOMolecular Weight: 224.054040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WCCLQCBKBPTODV-UHFFFAOYSA-N

• 5-Bromo-6-hydroxy-3-pyridinecarboxylic acid
IUPAC Name: 5-bromo-6-oxo-1H-pyridine-3-carboxylic acid | CAS Registry Number: 41668-13-7
Synonyms: 5-bromo-6-hydroxynicotinic acid, 5-bromo-6-hydroxynicotinicacid, 5-Bromo-6-hydroxypyridine-3-carboxylic acid, 5-bromo-6-oxo-1H-pyridine-3-carboxylic Acid, SBB052964, 3-Pyridinecarboxylicacid, 5-bromo-1,6-dihydro-6-oxo-, 5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid, PubChem9825, zlchem 1121, ACMC-1ARBQ, AC1MC9M5, SureCN1505622, SureCN2704343, KSC235K8T, 6-Hydroxy-5-bromonicotinic acid, CTK1D5589, ZLD0589, 5-Bromo-6-hydroxy-nicotinic acid, 5-Bromo-6-hydroxynicotinic acid,, MolPort-000-140-215

Molecular Formula: C6H4BrNO3Molecular Weight: 218.004860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PQDLYKZCJBGXPQ-UHFFFAOYSA-N

• 2-Bromo-3-Fluoroanisole
IUPAC Name: 2-bromo-1-fluoro-3-methoxybenzene | CAS Registry Number: 446-59-3
Synonyms: 2-Bromo-3-fluoroanisole, 2-bromo-1-fluoro-3-methoxybenzene, 2-bromo-1-fluoro-3-methoxy-benzene, benzene, 2-bromo-1-fluoro-3-methoxy, AG-F-56569, PubChem4125, ACMC-209jzj, AC1MCV9U, SureCN1204331, KSC494A1N, 2-Bromo-3-fluoroanisole 99%, CTK3J4016, MolPort-001-771-585, ACN-S004618, ACT11625, ANW-30173, SBB093393, ZINC02510744, AKOS005255946, AC-3755

Molecular Formula: C7H6BrFOMolecular Weight: 205.024343 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RNUBPKHSQXYYCV-UHFFFAOYSA-N

• 4-Piperidinecarboxylic Acid Methyl Ester Hydrochloride
IUPAC Name: methyl piperidine-4-carboxylate | CAS Registry Number: 7462-86-4
Synonyms: Methyl isonipecotate, Methyl 4-piperidinecarboxylate, Methyl piperidin-4-carboxylate, 463485_ALDRICH, methyl piperidine-4-carboxylate, MolPort-000-004-622, CID424914, 4-Piperidinecarboxylic acid, methyl ester, BBR-008203, 4-piperidinecarboxylic acid methyl ester, TL8002313, M32003, I02-0087, I12-0048, InChI=1/C7H13NO2/c1-10-7(9)6-2-4-8-5-3-6/h6,8H,2-5H2,1H, 2971-79-1

Molecular Formula: C7H13NO2Molecular Weight: 143.183620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RZVWBASHHLFBJF-UHFFFAOYSA-N

• 2,4-dichloro-5-nitropyrimidine
IUPAC Name: 2,4-dichloro-5-nitropyrimidine | CAS Registry Number: 49845-33-2
Synonyms: nchembio826-comp4, Ambap3662, 2,4-Dichloro-5-nitropyrimidine, 658340_ALDRICH, 3-Nitro-2,4-dichloropyrimidine, 2,4-Dichloro-5-nitro-pyrimidine, ZINC02023569, CID521266, Pyrimidine, 2,4-dichloro-5-nitro-, TL806384, AC-907/25004262

Molecular Formula: C4HCl2N3O2Molecular Weight: 193.975640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: INUSQTPGSHFGHM-UHFFFAOYSA-N

• 2-Fluoro-5-nitrobenzonitrile
IUPAC Name: 2-fluoro-5-nitrobenzonitrile | CAS Registry Number: 17417-09-3
Synonyms: 544221_ALDRICH, ZINC00167117, CID519417, ST5406879, TL80074087

Molecular Formula: C7H3FN2O2Molecular Weight: 166.109323 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: YLACBMHBZVYOAP-UHFFFAOYSA-N

• 5-Bromo-2-fluorobenzonitrile
IUPAC Name: 5-bromo-2-fluorobenzonitrile | CAS Registry Number: 179897-89-3
Synonyms: 465259_ALDRICH, ZINC00155138, ST5319387, TL800742030, InChI=1/C7H3BrFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3

Molecular Formula: C7H3BrFNMolecular Weight: 200.007823 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GYCNHFWRPJXTSB-UHFFFAOYSA-N

• 2-Amino-thiobenzamide
IUPAC Name: 2-aminobenzenecarbothioamide | CAS Registry Number: 2454-39-9
Synonyms: Thioanthranilamide, o-Aminothiobenzamide, 2-Aminothiobenzamide, Benzamide, o-aminothio-, Benzenecarbothioamide, 2-amino-, NSC53310, ZINC01684445, T5421516

Molecular Formula: C7H8N2SMolecular Weight: 152.216820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: HPZKAJRFABCGFF-UHFFFAOYSA-N

• 2-Amino-4-methylbenzonitrile
IUPAC Name: 2-amino-4-methylbenzonitrile | CAS Registry Number: 26830-96-6
Synonyms: 214280_ALDRICH, ZINC04272117, EINECS 248-020-0, CID2801276, TL 00552, TL80074083, InChI=1/C8H8N2/c1-6-2-3-7(5-9)8(10)4-6/h2-4H,10H2,1H

Molecular Formula: C8H8N2Molecular Weight: 132.162520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LGNVAEIITHYWCG-UHFFFAOYSA-N

• 4-Bromo-3-nitrobenzotrifluoride
IUPAC Name: 1-bromo-2-nitro-4-(trifluoromethyl)benzene | CAS Registry Number: 349-03-1
Synonyms: 365777_ALDRICH, 3-Nitro-4-bromobenzotrifluoride, JRD-0315, CID520706, SBB009903, ZINC00056813, TL8002603, Toluene, 4-bromo-3-nitro-alpha,alpha,alpha-trifluoro-

Molecular Formula: C7H3BrF3NO2Molecular Weight: 270.003430 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: PESPBNYBZVIGRO-UHFFFAOYSA-N

• 2,4-Dibromothiazole
IUPAC Name: 2,4-dibromo-1,3-thiazole | CAS Registry Number: 4175-77-3
Synonyms: sOxLLLQACqDfWMijP@, 677914_ALDRICH, ZINC02245232, D2472G1

Molecular Formula: C3HBr2NSMolecular Weight: 242.919740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MKEJZKKVVUZXIS-UHFFFAOYSA-N

• 4-Chloro-3-ethylphenol
IUPAC Name: 4-chloro-3-ethylphenol | CAS Registry Number: 14143-32-9
Synonyms: phenol, 4-chloro-3-ethyl-, 279552_ALDRICH, EINECS 237-991-6, InChI=1/C8H9ClO/c1-2-6-5-7(10)3-4-8(6)9/h3-5,10H,2H2,1H

Molecular Formula: C8H9ClOMolecular Weight: 156.609460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DVKVZPIRWWREJC-UHFFFAOYSA-N

• 2,5-Dihydroxybenzaldehyde
IUPAC Name: 2,5-dihydroxybenzaldehyde | CAS Registry Number: 1194-98-5
Synonyms: Gentisaldehyde, Gentisate aldehyde, Ambap5842, Benzaldehyde, 2,5-dihydroxy-, 2,5-DHBAOP, NCIOpen2_000629, D108200_ALDRICH, CHEBI:28508, 2,5-Dihydroxybenzaldehyde polymer, AIDS220859, AIDS220866, AIDS-220859, AIDS-220866, CID70949, NSC72387, EINECS 214-789-6, NSC 72387, ZINC00895809, C05585, InChI=1/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10

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

InChIKey: CLFRCXCBWIQVRN-UHFFFAOYSA-N

• 4-Bromoisophthalic acid
IUPAC Name: 4-bromobenzene-1,3-dicarboxylic acid | CAS Registry Number: 6939-93-1
Synonyms: TimTec1_004155, 115266_ALDRICH, 1,3-Benzenedicarboxylic acid, 4-bromo-, NSC38770, EINECS 230-078-3, SBB003189, FR-2125

Molecular Formula: C8H5BrO4Molecular Weight: 245.026900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: MSQIEZXCNYUWHN-UHFFFAOYSA-N

• 1-Butyl-4-eth1-ynylbenzene
IUPAC Name: 1-butyl-4-ethynylbenzene | CAS Registry Number: 79887-09-5
Synonyms: 4-Butylphenylacetylene, 1-Butyl-4-ethynylbenzene, 1-BUTYL-4-ETH-1-YNYLBENZENE, SBB055055, AG-H-20191, 1-butyl-4-ethynyl-benzene, PubChem10978, ACMC-209pic, 4-n-Butylphenylacetylene, AC1MCQ06, P-BUTYLPHENYLACETYLENE, KSC497Q7H, 521086_ALDRICH, CTK3J7873, MolPort-000-141-935, ACN-S004638, ANW-37330, ZINC02555807, AKOS005146062, MCULE-6647863464

Molecular Formula: C12H14Molecular Weight: 158.239560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ZVWWYEHVIRMJIE-UHFFFAOYSA-N

• 4-Phenylpyridine
IUPAC Name: 4-phenylpyridine | CAS Registry Number: 939-23-1
Synonyms: 4-PHENYLPYRIDINE, p-Phenylpyridine, Pyridine, 4-phenyl-, AZABIPHENYL, P33429_ALDRICH, 79090_FLUKA, EINECS 213-357-4, NSC 70375, NSC 77935, NSC70375, NSC77935, BRN 0110490, SBB008518, ZINC00967333, FR-2206, LS-131888, 5-20-07-00549 (Beilstein Handbook Reference), AC-907/25014285, InChI=1/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9, 52642-16-7

Molecular Formula: C11H9NMolecular Weight: 155.195860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JVZRCNQLWOELDU-UHFFFAOYSA-N

• 3,3-Dimethylbutyraldehyde
IUPAC Name: 3,3-dimethylbutanal | CAS Registry Number: 2987-16-8
Synonyms: 3,3-dimethylbutanal, tert-Butylacetaldehyde, Butanal, 3,3-dimethyl-, 359904_ALDRICH, EINECS 221-054-3

Molecular Formula: C6H12OMolecular Weight: 100.158880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LTNUSYNQZJZUSY-UHFFFAOYSA-N

• 3-Cyclopentenecarboxylic acid ethyl ester
IUPAC Name: ethyl cyclopent-3-ene-1-carboxylate | CAS Registry Number: 21622-01-5
Synonyms: ghl.PD_Mitscher_leg0.1203, CID5314991, FR-2402

Molecular Formula: C8H12O2Molecular Weight: 140.179680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CTLAIKSGNQPPLO-UHFFFAOYSA-N

• 2-Amino-4-methoxybenzothiazole
IUPAC Name: 4-methoxy-1,3-benzothiazol-2-amine | CAS Registry Number: 5464-79-9
Synonyms: 2-AMINO-4-METHOXYBENZOTHIAZOLE, 4-Methoxy-2-aminobenzothiazole, 2-Benzothiazolamine, 4-methoxy-, Benzothiazole, 2-amino-4-methoxy-, 4-Methoxybenzothiazol-2-ylamine, Oprea1_723719, MLS002152866, 138215_ALDRICH, IFLab1_006388, 4-Methoxybenzothiazole-2-ylamine, EINECS 226-763-1, NSC 28740, AIDS038775, AIDS-038775, NSC28740, WLN: T56 BN DSJ CZ IO1, BRN 0141363, SBB000220, ZINC00064958, 4-methoxy-1,3-benzothiazol-2-amine

Molecular Formula: C8H8N2OSMolecular Weight: 180.226920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YEBCRAVYUWNFQT-UHFFFAOYSA-N

• 5-Methylisatin
IUPAC Name: 5-methyl-1H-indole-2,3-dione | CAS Registry Number: 608-05-9
Synonyms: Isatin, 5-methyl-, 5-Methyl-indole-2,3-dione, 5-Methyl-1H-indole-2,3-dione, 5-Methylindole-2,3-dione, Isatin-based compound, 30, 1H-Indole-2,3-dione, 5-methyl-, INDOLE-2,3-DIONE, 5-METHYL-, 5-Methylindole-2,3(1H)-dione, Isatin, 5-methyl- (6CI), M3002_SIGMA, 222429_ALDRICH, NSC 9398, EINECS 210-152-1, NSC9398, AIDS163136, AIDS-163136, BRN 0123738, ZINC01699967, LS-83034, 1H-Indole-2,3-dione, 5-methyl- (9CI)

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

InChIKey: VAJCSPZKMVQIAP-UHFFFAOYSA-N

• (r)-1-methoxy-2-propanol
IUPAC Name: (2R)-1-methoxypropan-2-ol | CAS Registry Number: 4984-22-9
Synonyms: (R)-(-)-1-Methoxy-2-propanol, (2R)-1-methoxypropan-2-ol, R-(-)-1-Methoxy-2-propanol, (R)-1-methoxy-propan-2-ol, (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, PubChem6714, AC1MBZ8O, r-1-methoxy-2-propanol, KSC496O2L, 77913_ALDRICH, 77913_FLUKA, CTK3J6725, MolPort-003-939-030, ACT03199, ANW-30857, ZINC02039643, AKOS006341650, AKOS015851480, AG-F-66976, DB04766

Molecular Formula: C4H10O2Molecular Weight: 90.121000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ARXJGSRGQADJSQ-SCSAIBSYSA-N

• 4-Amino-3-methylpyridine
IUPAC Name: 3-methylpyridin-4-amine | CAS Registry Number: 1990-90-5
Synonyms: Phillips 1908, 4-Amino-3-picoline, Philips 1908, 3-Picoline, 4-amino-, 3-Methyl-4-pyridinamine, 3-Methylpyridin-4-amine, 3-Methyl-4-aminopyridine, 4-Pyridinamine, 3-methyl-, 3-methyl-4-pyridinylamine, WLN: T6NJ C1 DZ, TPC-PY103, EINECS 217-872-5, NSC 52454, NSC52454, 4-Pyridinamine, 3-methyl- (9CI), BRN 0107957, STK206059, LS-109609, TL8001645, 5-22-09-00286 (Beilstein Handbook Reference)

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VGJLGPCXUGIXRQ-UHFFFAOYSA-N

• 4-Amino-3,5-diiodobenzoic acid
IUPAC Name: 4-amino-3,5-diiodobenzoic acid | CAS Registry Number: 2122-61-4
Synonyms: WLN: ZR BI FI DVQ, NCIOpen2_007427, NSC57118, 3,5-Diiodo-4-aminobenzoic acid, EINECS 218-331-6, NSC 57118, CID16460, BRN 2103037, RDP 00021, 3,5-Dijod-4-aminohippursaeure [German], BENZOIC ACID, 4-AMINO-3,5-DIIODO-, AI3-52265, LS-35787, 3-14-00-01161 (Beilstein Handbook Reference), InChI=1/C7H5I2NO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12

Molecular Formula: C7H5I2NO2Molecular Weight: 388.929040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WXTVPMWCUMEVSZ-UHFFFAOYSA-N

• 3-Methyl-2-furoic acid
IUPAC Name: 3-methylfuran-2-carboxylic acid | CAS Registry Number: 4412-96-8
Synonyms: NCIOpen2_003774, 667994_ALDRICH, 2-Furancarboxylic acid, 3-methyl-, 3-Methylfuran-2-carboxylic acid, NSC508742, CID78127, EINECS 224-571-2, SBB004257, AB-337/25021043

Molecular Formula: C6H6O3Molecular Weight: 126.110040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BNYIQEFWGSXIKQ-UHFFFAOYSA-N

• 2-Chloro-4-Trifluoromethylbenzoic Acid
IUPAC Name: 2-chloro-4-(trifluoromethyl)benzoic acid | CAS Registry Number: 23228-45-7
Synonyms: 2-chloro-4-(trifluoromethyl)benzoic Acid, 2-Chloro-4-trifluoromethylbenzoic acid, SBB052786, PubChem4592, SureCN1818435, CTK3J5295, MolPort-003-984-159, 4-Carboxy-3-chlorobenzotrifluoride, ACT00644, ANW-74994, AKOS007930612, AC-4474, AG-E-67575, AM61415, RP27528, 2-Chloro-4-trifluoromethyl benzoic acid, 2-Chloro-4-trifluoromethyl-benzoic acid, AK-34251, BR-34251, KB-22217

Molecular Formula: C8H4ClF3O2Molecular Weight: 224.564370 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: DTIJZEUKFYGSEC-UHFFFAOYSA-N

• 3-Aminothiobenzamide
IUPAC Name: 3-aminobenzenecarbothioamide | CAS Registry Number: 78950-36-4
Synonyms: 3-Aminobenzenecarbothioamide, AG-H-16486, ST51042049, ZINC02540606, 3-AMINOBENZTHIOAMIDE, 3-azanylbenzenecarbothioamide, 3-AMINO-THIOBENZAMIDE, Benzenecarbothioamide,3-amino-, AC1M11L5, CTK5E6256, Benzenecarbothioamide, 3-amino-;, MolPort-000-151-243, 3-AMINO-BENZENECARBOTHIOAMIDE, amino(3-aminophenyl)methane-1-thione, AKOS012535884, 3-AMINOBENZENE-1-CARBOTHIOAMIDE, AB21283, BENZENECARBOTHIOAMIDE, 3-AMINO-, KB-180792, A839538

Molecular Formula: C7H8N2SMolecular Weight: 152.216820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZKWTUTBIHCNCKU-UHFFFAOYSA-N

• 3-Methoxy-4-Nitrobenzoic Acid
IUPAC Name: 3-methoxy-4-nitrobenzoic acid | CAS Registry Number: 5081-36-7
Synonyms: 3-Methoxy-4-nitrobenzoic acid, 184306_ALDRICH, Benzoic acid, 3-methoxy-4-nitro-, EINECS 225-793-2, NSC148471, ST5406683, TL8003366

Molecular Formula: C8H7NO5Molecular Weight: 197.144880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: PWURRRRGLCVBMX-UHFFFAOYSA-N

• 4-Amino thiobenzamide
IUPAC Name: 4-aminobenzenecarbothioamide | CAS Registry Number: 4714-67-4
Synonyms: p-Aminothiobenzamide, p-Aminobenzothiamide, 4-Aminothiobenzamide, Benzamide, p-aminothio-, 4-Aminobenzenecarbothioamide, Benzenecarbothioamide, 4-amino-, NSC 18337, AIDS009541, AIDS-009541, NSC18337, BRN 2802376, ZINC01769093, WLN: ZR DVM2N2&2 &S-O4, Benzenecarbothioamide, 4-amino- (9CI), LS-25669, TL8006919, 3-14-00-01171 (Beilstein Handbook Reference)

Molecular Formula: C7H8N2SMolecular Weight: 152.216820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: LZJVSPPXXGXGQL-UHFFFAOYSA-N

• 5-Bromo-2-Methoxypyridine
IUPAC Name: 5-bromo-2-methoxypyridine | CAS Registry Number: 13472-85-0
Synonyms: 5-Bromo-2-methoxypyridine, TPC-PY048, 510297_ALDRICH, ZINC00403318, CID2734895, 2-methoxy-5-bromopyridine, picric acid, B242, TL806156, ST5408791, AC-907/25004518, InChI=1/C6H6BrNO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H

Molecular Formula: C6H6BrNOMolecular Weight: 188.021940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XADICJHFELMBGX-UHFFFAOYSA-N

• 2,6-Dibromo-4-fluoroiodobenzene
IUPAC Name: 1,3-dibromo-5-fluoro-2-iodobenzene | CAS Registry Number: 62720-29-0
Synonyms: 1,3-Dibromo-5-fluoro-2-iodobenzene, PubChem3449, ACMC-1B2CD, AC1MC5A5, SureCN1393362, KSC615O5D, CTK5B5751, MolPort-000-153-875, ACT00254, ANW-34348, ZINC02168609, AKOS008901206, 1,3-Dibromo-5-fluoro-2-iodobenzene;, AC-4468, AG-G-30850, AM61620, AS03553, Benzene,1,3-dibromo-5-fluoro-2-iodo-, AK-35901, Benzene, 1,3-dibromo-5-fluoro-2-iodo-

Molecular Formula: C6H2Br2FIMolecular Weight: 379.790953 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LIWKANDEJFABTQ-UHFFFAOYSA-N

• 5,7-Dichloroisatin
IUPAC Name: 5,7-dichloro-1H-indole-2,3-dione | CAS Registry Number: 6374-92-1
Synonyms: Isatin, 5,7-dichloro-, NCIMech_000038, Isatin-based compound, 53, CBDivE_012174, 633623_ALDRICH, 5,7-Dichloroindole-2,3-dione, NSC26045, Indole-2,3-dione, 5,7-dichloro-, 5,7-Dichloro-1H-indole-2,3-dione, AIDS020009, AIDS-020009, EINECS 228-928-3, 1H-Indole-2,3-dione, 5,7-dichloro-, ZINC01628160, BAS 06347898, NCI60_002080, ST5211555, TL8007340

Molecular Formula: C8H3Cl2NO2Molecular Weight: 216.020920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AYGGQJHJRFZDFH-UHFFFAOYSA-N

• 2-Bromo-6-fluorobenzonitrile
IUPAC Name: 2-bromo-6-fluorobenzonitrile | CAS Registry Number: 79544-27-7
Synonyms: 2-fluoro-6-bromobenzonitrile, 6-BROMO-2-FLUOROBENZONITRILE, 2-bromo-6-fluoro-benzonitrile, 6-bromo-2-fluorobenzenecarbonitrile, SBB055263, AG-H-19104, 2-CYANO-3-FLUORO-1-BROMOBENZENE, ZINC04290584, PubChem2221, ACMC-209pho, AC1MD3UK, AC1Q4MRS, SureCN185690, KSC493Q3H, 2-fluoro-6-bromo benzonitrile, 2-Bromo-6-fluorobenzonitrile,, 3-Bromo-2-cyanofluorobenzene;, 676012_ALDRICH, CTK3J3833, Benzonitrile, 2-bromo-6-fluoro-

Molecular Formula: C7H3BrFNMolecular Weight: 200.007823 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IELGUZKHALDFOO-UHFFFAOYSA-N

• 7-Ethyl-10-Hydroxycamptothecin
Synonyms: Camptothecin analog, SN-38, 7-Ethyl-10-hydroxycamptothecin, SN38, SN 38, 7-Ethyl-10-hydroxy-camptothecin, Captothecin, 7-ethyl-10-hydroxy-, NSC673596, AIDS058635, AIDS-058635, 7-Ethyl-10-hydroxy-20(S)-CPT, 7-ethyl-10-hydroxy-20(s)-campthothecin, 7-Ethyl-10-hydroxy-20(S)-camptothecin, NCI60_026056, SL-00817, LS-127394, TL8005626, C11173, (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4,7-diethyl-4,10-dihydroxy-

Molecular Formula: C22H20N2O5Molecular Weight: 392.404600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: FJHBVJOVLFPMQE-QFIPXVFZSA-N

• 4-amino-2-picoline (CAS: 18437-81-3)
• 2-Amino-4-methylbenzoic acid
IUPAC Name: 2-amino-4-methylbenzoic acid | CAS Registry Number: 2305-36-4
Synonyms: 4-methylanthranilate, p-Toluic acid, 2-amino-, 4-Methylanthranilic acid, 4 - methylanthranilic acid, Benzoic acid, 2-amino-4-methyl-, NSC39155, EINECS 218-976-3, CPD0-1489, TL 00555

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

InChIKey: RPGKFFKUTVJVPY-UHFFFAOYSA-N

• 3-Hydroxyadamantane-1-carboxylic acid
IUPAC Name: (5S,7R)-3-hydroxyadamantane-1-carboxylate | CAS Registry Number: 42711-75-1
Synonyms: ZINC00040472, ZINC00040473

Molecular Formula: C11H15O3-Molecular Weight: 195.235000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CJJMAWPEZKYJAP-JZVMUCMXSA-M

• 3,4-Dihydro-2H-Pyran -2-Carboxaldehyde
IUPAC Name: 3,4-dihydro-2H-pyran-2-carbaldehyde | CAS Registry Number: 100-73-2
Synonyms: Acrolein dimer, Pyran aldehyde, 2-Propenal dimer, 5-Hexenal, 2,6-epoxy-, 2-Formyl-3,4-dihydro-2H-pyran, WLN: T6O BUTJ FVH, 3,4-Dihydro-2H-pyran-2-carbaldehyde, Pyran aldehyde (Acrolein dimer), EINECS 202-884-5, 3,4-Dihydro-2H-pyran-2-carboxaldehyde, MolPort-001-794-184, NSC 95413, UN2607, CID60994, NSC95413, 2H-PYRAN-2-CARBOXALDEHYDE, 3,4-DIHYDRO-, BRN 0107244, 2,3-Dihydro-1,4-pyran-2-karboxaldehyd, LS-127272, 2,3-Dihydro-1,4-pyran-2-karboxaldehyd [Czech]

Molecular Formula: C6H8O2Molecular Weight: 112.126520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NPWYTMFWRRIFLK-UHFFFAOYSA-N

• 5-Amino-2-Methylbenzoic acid
IUPAC Name: 5-amino-2-methylbenzoic acid | CAS Registry Number: 2840-04-2
Synonyms: 5-amino-2-methylbenzoic acid, 5-Amino-2-methyl-benzoic acid, 5-Amino-o-toluic acid, 5-Amino-2-methylbenzoicacid, 5-Amino-2-methyl benzoic acid, PubChem4980, SureCN2323573, AE-562/43286944, KSC494Q3T, ACMC-2097c4, Jsp000004, 5-azanyl-2-methyl-benzoic acid, CTK3J4839, MolPort-001-761-157, ACT11920, AC-056, ANW-13778, SBB007566, 2-METHYL-5-AMINOBENZOIC ACID, AKOS009334299

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

InChIKey: FSXVZWAWYKMFMX-UHFFFAOYSA-N

• 2-amino-4-fluorobenzoic acid
IUPAC Name: 2-amino-4-fluorobenzoic acid | CAS Registry Number: 446-32-2
Synonyms: 4-Fluoroanthranilic acid, 2-Amino-4-fluorobenzoic acid, 370169_ALDRICH, 07972_FLUKA, EINECS 207-163-9, SBB006590, A197, TL8003119, A-5520, 3S104455, InChI=1/C7H6FNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11

Molecular Formula: C7H6FNO2Molecular Weight: 155.126443 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LGPVTNAJFDUWLF-UHFFFAOYSA-N

• 1-N-Boc-4-methylenepiperidine
IUPAC Name: tert-butyl 4-methylidenepiperidine-1-carboxylate | CAS Registry Number: 159635-49-1
Synonyms: 1-Boc-4-methylene-piperidine, ZINC02382864, CID2756808, FS010917

Molecular Formula: C11H19NO2Molecular Weight: 197.274060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PDTZMULNKGUIEJ-UHFFFAOYSA-N

• 4-Bromo-1-Butene
IUPAC Name: 4-bromobut-1-ene | CAS Registry Number: 5162-44-7
Synonyms: sJPHAbIJuH@, 1-Bromo-3-butene, 1-Butene, 4-bromo-, 4-BROMO-1-BUTENE, 4-Bromobut-1-ene, 167851_ALDRICH, 16500_FLUKA, CID21241, EINECS 225-937-4, TL8003415, InChI=1/C4H7Br/c1-2-3-4-5/h2H,1,3-4H

Molecular Formula: C4H7BrMolecular Weight: 135.002380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: DMAYBPBPEUFIHJ-UHFFFAOYSA-N

• 3,5-Dibromoanisole
IUPAC Name: 1,3-dibromo-5-methoxybenzene | CAS Registry Number: 74137-36-3
Synonyms: 1,3-Dibromo-5-methoxybenzene, AG-G-94388, PubChem2009, 3,5-Dibromoanisole,, ACMC-1BH5R, SureCN309832, KSC493Q1D, CTK3J3811, MolPort-002-462-132, Benzene, 1,3-dibromo-5-methoxy-, ACN-S004640, ACT11656, ANW-36436, ZINC02579265, AKOS015834288, AC-3780, AM61638, AS01384, AS04144, LS10488

Molecular Formula: C7H6Br2OMolecular Weight: 265.929940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OQZAQBGJENJMHT-UHFFFAOYSA-N


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