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Profile: Shanghai Chemhere Co., Ltd. deals with lab reagent, fine chemicals and active pharmaceutical ingredients. We develop catalysts and key reagents for laboratories. Our chemicals are used in research institutes and universities. We also offer custom synthesis in both research and development scale.

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• 4-Methylhippuric Acid

IUPAC Name: 2-[(4-methylbenzoyl)amino]acetic acid | CAS Registry Number: 27115-50-0
Synonyms: p-Toluric acid, 4-Methylhippuric acid, p-Methylhippuric acid, N-(p-Toluoyl)glycine, N-(4-Methylbenzoyl)glycine, N-(p-Toluoyl)-glycine, Maybridge1_005796, Hippuric acid, p-methyl-, Oprea1_357822, DivK1c_002084, 328022_ALDRICH, Glycine, N-(4-methylbenzoyl)-, CHEBI:103973, Hippuric acid, p-methyl- (8CI), CID97479, EINECS 248-231-8, (4-Methyl-benzoylamino)-acetic acid, NSC126814, NSC 126814, CDS1_001044

Molecular Formula:	C₁₀H₁₁NO₃	Molecular Weight:	193.199240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: NRSCPTLHWVWLLH-UHFFFAOYSA-N

• 5-Methoxy-1-indanone

IUPAC Name: 5-methoxy-2,3-dihydroinden-1-one | CAS Registry Number: 5111-70-6
Synonyms: 5-Methoxyindan-1-one, 1-Indanone, 5-methoxy-, NCIOpen2_001045, 183539_ALDRICH, NSC82964, CID78787, EINECS 225-838-6, ZINC00391180, TL806238, 1H-Inden-1-one, 2,3-dihydro-5-methoxy-, ST5330619, InChI=1/C10H10O2/c1-12-8-3-4-9-7(6-8)2-5-10(9)11/h3-4,6H,2,5H2,1H

Molecular Formula:	C₁₀H₁₀O₂	Molecular Weight:	162.185200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: QOPRWBRNMPANKN-UHFFFAOYSA-N

• (R)-(-)-Phenylsuccinic Acid

IUPAC Name: (2R)-2-phenylbutanedioic acid | CAS Registry Number: 46292-93-7
Synonyms: (R)-(-)-Phenylsuccinic acid, (2r)-2-phenylsuccinic acid, (R)-2-Phenyl succinic acid, AC1LEHGO, (R)-phenylsuccinic acid, AC1Q5QIB, SureCN377609, 78172_ALDRICH, Ambap4036-30-0, (2R)-2-phenylbutanedioic acid, 78172_FLUKA, CTK4I9297, (R)-2-PHENYLSUCCINICACID, MolPort-003-939-043, KST-1A4944, ACT09742, AR-1A2717, Butanedioic acid,2-phenyl-, (2R)-, AKOS006239803, AG-F-59364

Molecular Formula:	C₁₀H₁₀O₄	Molecular Weight:	194.184000 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: LVFFZQQWIZURIO-MRVPVSSYSA-N

• 8-Hydroxy-3,4-dihydronaphthalen-2(1H)-one

IUPAC Name: 8-hydroxy-3,4-dihydro-1H-naphthalen-2-one | CAS Registry Number: 53568-05-1
Synonyms: 8-Hydroxy-2-tetralone, 8-hydroxy-3,4-dihydro-1H-naphthalen-2-one, 8-Hydroxy-3,4-dihydro-2(1H)-naphthalenone, SBB056399, ZINC04288795, PubChem16050, 8-hydroxyl-2-tetralone, AC1LB7IG, SureCN264072, AC1Q6KR5, CTK4J8390, MolPort-001-765-971, ANW-60014, AR-1H4606, WTI-10065, AG-J-01241, KB-74251, 8-hydroxy-1,3,4-trihydronaphthalen-2-one, FT-0640175, 2(1H)-Naphthalenone,3,4-dihydro-8-hydroxy-

Molecular Formula:	C₁₀H₁₀O₂	Molecular Weight:	162.185200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: NDUSBJBOSIRESA-UHFFFAOYSA-N

• 4-Phenylbutyryl chloride

IUPAC Name: 4-phenylbutanoyl chloride | CAS Registry Number: 18496-54-3
Synonyms: 4-phenylbutanoyl chloride, 4-Phenylbutanoylchloride, 4-PHENYLBUTYRYL CHLORIDE, 4-phenyl-butyryl chloride, SBB040702, AG-E-34388, ACMC-1CUIL, AC1Q3GAC, 4-phenyl-Mutanoyl Chloride, AGN-PC-00G7FI, CTK0H4452, MolPort-000-871-817, ZINC02569626, AKOS000268715, MCULE-6473558795, AK-39224, KB-40266, AM20030216, FT-0651679, A12536

Molecular Formula:	C₁₀H₁₁ClO	Molecular Weight:	182.646740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: VQDQISMDUHBUFF-UHFFFAOYSA-N

• 7-Hydroxy-2-tetralone

IUPAC Name: 7-hydroxy-3,4-dihydro-1H-naphthalen-2-one | CAS Registry Number: 37827-68-2
Synonyms: 7-hydroxy-3,4-dihydro-1H-naphthalen-2-one, 7-Hydroxy-3,4-dihydronaphthalen-2(1H)-one, SureCN266616, AC1N5PD3, 7-HYDROXYL-2-TETRALONE, Jsp006663, CTK4H8874, MolPort-003-989-993, ANW-50600, WTI-10066, ZINC06322654, AKOS006295401, AB17138, AG-F-33115, RP22524, AK-27129, BR-27129, KB-46418, AB1008055, FT-0650340

Molecular Formula:	C₁₀H₁₀O₂	Molecular Weight:	162.185200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: LTLOEHIVHXTMBN-UHFFFAOYSA-N

• 2,4,6-Trimethylphenyl Isocyanate

IUPAC Name: 2-isocyanato-1,3,5-trimethylbenzene | CAS Registry Number: 2958-62-5
Synonyms: 2,4,6-Trimethylphenyl isocyanate, 2-Isocyanato-1,3,5-trimethyl-benzene, ST50824809, Mesityl isocyanate, ACMC-1CKNS, AC1LC6K9, 478784_ALDRICH, AC1Q2I00, 2,4,6-trimethylbenzenisocyanate, CTK3J5799, GEO-02422, ZINC02566253, 2-Isocyanato-1,3,5-trimethylbenzene, AKOS000197555, AG-E-96418, MCULE-8994867174, KB-17222, FT-0609906, I14-48099, Isocyanicacid, mesityl ester (6CI,7CI,8CI); 1-Isocyanato-2,4,6-trimethyl-benzene;2,4,6-Trimethylphenyl isocyanate; Mesityl isocyanate

Molecular Formula:	C₁₀H₁₁NO	Molecular Weight:	161.200440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: HJHZRZFONUPQAA-UHFFFAOYSA-N

• 4-Acetamido-2-methylbenzoic acid

IUPAC Name: 4-acetamido-2-methylbenzoic acid | CAS Registry Number: 103204-69-9
Synonyms: SBB058914, 4-(acetylamino)-2-methylbenzoic acid, ACMC-20amqf, SureCN377804, AC1MC2U1, 549665_ALDRICH, CTK3J5646, 4'-acetamido-2-methylbenzoicacid, MolPort-001-770-853, ACT08036, AKOS009159401, AG-D-13645, MCULE-8562263340, AK-40258, BP-10615, KB-188789, ST50827367, X8018, AE-562/43460584, I14-34009

Molecular Formula:	C₁₀H₁₁NO₃	Molecular Weight:	193.199240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: AQPDTYYKDYMCTH-UHFFFAOYSA-N

• 3-Chloro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

IUPAC Name: 3-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one | CAS Registry Number: 86499-23-2
Synonyms: 3-chloro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, 3-Chloro-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one, AGN-PC-00LNTQ, SureCN7430237, KSC494E6N, CHEMBL66819, CTK3J4266, MolPort-020-001-877, ANW-66748, AKOS006331603, AG-H-48944, AK-98828, R470, KB-181392, FT-0688172, M-2315, 3-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one, A841686, 3-chloro-1,3,4,5-tetrahydro-[1]benzazepin-2-one, 3-chloranyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

Molecular Formula:	C₁₀H₁₀ClNO	Molecular Weight:	195.645500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: VOEMRDMQXDUFDU-UHFFFAOYSA-N

• 4-(1h-Pyrazol-1-Yl)Benzylamine

IUPAC Name: (4-pyrazol-1-ylphenyl)methanamine | CAS Registry Number: 368870-03-5
Synonyms: 4-(1H-Pyrazol-1-yl)benzylamine, 1-[4-(1H-pyrazol-1-yl)phenyl]methanamine, 4-Pyrazol-1-yl-benzylamine, (4-pyrazol-1-ylphenyl)methanamine, [4-(pyrazol-1-yl)phenyl]methanamine, SBB021984, 1-[4-(Aminomethyl)phenyl]-1H-pyrazole, [4-(1H-pyrazol-1-yl)phenyl]methanamine, [4-(1H-Pyrazol-1-yl)phenyl]methylamine, (4-pyrazolylphenyl)methylamine, (4-(1H-PYRAZOL-1-YL)PHENYL)METHANAMINE, SDCCGMLS-0066006.P001, zlchem 1086, PubChem22753, SureCN45348, AC1MCR06, AC1Q53XT, AC1Q53XU, Oprea1_708203, CTK4H7344

Molecular Formula:	C₁₀H₁₁N₃	Molecular Weight:	173.214440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: AVKMXPDYQVKSFF-UHFFFAOYSA-N

• 3-(4-Chlorophenylthio)Butyric Acid

IUPAC Name: (3R)-3-(4-chlorophenyl)sulfanylbutanoate | CAS Registry Number: 90919-34-9
Synonyms: ZINC05211630, CID7557534

Molecular Formula:	C₁₀H₁₀ClO₂S-	Molecular Weight:	229.703200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DSCJEDOCSCNYAI-SSDOTTSWSA-M

• 3,4,5-Trimethoxybenzoyl Chloride

IUPAC Name: 3,4,5-trimethoxybenzoyl chloride | CAS Registry Number: 4521-61-3
Synonyms: Trimethylgalloyl chloride, 3,4,5-Trimethoxybenzoyl chloride, Tri-O-methylgalloyl chloride, NCIOpen2_005468, T69809_ALDRICH, Benzoyl chloride, 3,4,5-trimethoxy-, NSC91023, EINECS 224-851-4, NSC 91023, ZINC01586815, ST5214062

Molecular Formula:	C₁₀H₁₁ClO₄	Molecular Weight:	230.644940 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: BUHYMJLFRZAFBF-UHFFFAOYSA-N

• 4,6-Dinitro-2-Sec-Butylphenol

IUPAC Name: 2-butan-2-yl-4,6-dinitrophenol | CAS Registry Number: 88-85-7
Synonyms: Butaphene, Basanite, Hivertox, Phenotan, Premerge, Dibutox, Gebutox, Kiloseb, Subitex, Caldon, Sparic, Spurge, Aatox, Dytop, Laseb, Chemox general, DINOSEB, Dow General, Blaartox, Butaphen

Molecular Formula:	C₁₀H₁₂N₂O₅	Molecular Weight:	240.212680 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: OWZPCEFYPSAJFR-UHFFFAOYSA-N

• 2-(1-Pyrrolidinyl)nicotinaldehyde

IUPAC Name: 2-pyrrolidin-1-ylpyridine-3-carbaldehyde | CAS Registry Number: 690632-39-4
Synonyms: 2-pyrrolidin-1-ylpyridine-3-carbaldehyde, 2-(1-pyrrolidinyl)nicotinaldehyde, AG-G-68380, 2-(PYRROLIDIN-1-YL)NICOTINALDEHYDE, AC1MDRUB, CTK5C8996, MolPort-000-145-197, 2-pyrrolidinylpyridine-3-carbaldehyde, SBB089179, ZINC20231033, AKOS006229933, MO07059, KB-13755, KB-92482, 2-(pyrrolidin-1-yl)pyridine-3-carbaldehyde, 2-(1-pyrrolidinyl)-3-pyridinecarboxaldehyde, FT-0691190, 3-Pyridinecarboxaldehyde,2-(1-pyrrolidinyl)-, A836342, 2-(1-Pyrrolidinyl)-3-pyridinecarboxaldehyde;2-(1-Pyrrolidinyl)nicotinealdehyde;

Molecular Formula:	C₁₀H₁₂N₂O	Molecular Weight:	176.215080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: FTACFSVJFQMXQE-UHFFFAOYSA-N

• 5,6-Dichloro-1-ethyl-2-methylbenzimidazole

IUPAC Name: 5,6-dichloro-1-ethyl-2-methylbenzimidazole | CAS Registry Number: 3237-62-5
Synonyms: CBDivE_008738, CID76717, EINECS 221-797-3, ZINC00236070, BAS 00009391, ST5000020, 1-Ethyl-2-methyl-5,6-dichlorobenzimidazole, 5,6-Dichloro-1-ethyl-2-methyl-1H-benzimidazole, 5,6-Dichloro-1-ethyl-2-methyl-1H-benzoimidazole, 1H-Benzimidazole, 5,6-dichloro-1-ethyl-2-methyl-

Molecular Formula:	C₁₀H₁₀Cl₂N₂	Molecular Weight:	229.105800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: IVVLMQPTQOLYDX-UHFFFAOYSA-N

• 2,4,5-Trimethylbenzoic acid

IUPAC Name: 2,4,5-trimethylbenzoic acid | CAS Registry Number: 528-90-5
Synonyms: Durylic acid, Benzoic acid, 2,4,5-trimethyl-, 2,4,5-TRIMETHYLBENZOIC ACID, 526444_ALDRICH, NSC 147400, CID10714, BRN 2084752, NSC147400, LS-38536, ST5410154, 4-09-00-01862 (Beilstein Handbook Reference)

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: QENJZWZWAWWESF-UHFFFAOYSA-N

• 1-Methyl-3-phenyl-1H-pyrazol-5-amine

IUPAC Name: 2-methyl-5-phenylpyrazol-3-amine | CAS Registry Number: 10199-50-5
Synonyms: Maybridge1_004465, 5-Amino-1-methyl-3-phenylpyrazole, ALBB-006565, SBB005507, ZINC00095216, SDCCGMLS-0066128.P001, SR-01000633522-1, InChI=1/C10H11N3/c1-13-10(11)7-9(12-13)8-5-3-2-4-6-8/h2-7H,11H2,1H

Molecular Formula:	C₁₀H₁₁N₃	Molecular Weight:	173.214440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: KCYRMURRLLYLPU-UHFFFAOYSA-N

• 6-methylindan-1-one

IUPAC Name: 6-methyl-2,3-dihydroinden-1-one | CAS Registry Number: 24623-20-9
Synonyms: 6-Methyl-1-indanone, 6-methyl-2,3-dihydroinden-1-one, 6-Methyl-indan-1-one, 6-methyl-2,3-dihydro-1H-inden-1-one, SBB069423, ZINC02564969, PubChem8851, AC1MDSKX, ACMC-209gdm, SureCN354988, AC1Q2N3V, AC1Q2O7J, 423734_ALDRICH, CTK4F4058, MolPort-001-766-246, AM868, ANW-25496, AKOS009158544, AG-E-73691, MCULE-7931236286

Molecular Formula:	C₁₀H₁₀O	Molecular Weight:	146.185800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: DBOXRDYLMJMQBB-UHFFFAOYSA-N

• 1-Methyl-7-Nitro-1,2,3,4-Tetrahydroquinoline

IUPAC Name: 1-methyl-7-nitro-3,4-dihydro-2H-quinoline | CAS Registry Number: 39275-18-8
Synonyms: 1-Methyl-7-nitro-1,2,3,4-tetrahydroquinoline, N-Methyl-7-nitro-1,2,3,4-tetrahydroquinoline, 1-Methyl-7-nitro-1,2,3,4-tetrahydro, 1-Methyl-7-nitro-1,2,3,4-tetrahydro-quinoline, -quinoline, PubChem5860, 1-methyl-7-nitro-3,4-dihydro-2H-quinoline, AGN-PC-009YQJ, SureCN3586952, Jsp006822, CTK4I1242, MolPort-005-942-220, ACT01934, ANW-47532, SBB068452, ZINC22011241, AKOS005255359, AC-1921, AG-F-38768, RP25176

Molecular Formula:	C₁₀H₁₂N₂O₂	Molecular Weight:	192.214480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: UIQYGCGBKBKFJY-UHFFFAOYSA-N

• 4-(Chloromethyl)benzoic acid ethyl ester

IUPAC Name: ethyl 4-(chloromethyl)benzoate | CAS Registry Number: 1201-90-7
Synonyms: NSC124619, CID276519

Molecular Formula:	C₁₀H₁₁ClO₂	Molecular Weight:	198.646140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: JTTXRFNOFFGPFI-UHFFFAOYSA-N

• 3-Isopropyl-1H-2,1,3-Benzothiadiazine-4(3H)-One-2,2-Dioxide

IUPAC Name: 2,2-dioxo-3-propan-2-yl-1H-benzo[c][1,2,6]thiadiazin-4-one | CAS Registry Number: 25057-89-0
Synonyms: Bentazone, bentazon, Basagran, Bendioxide, Herbatox, Pentazone, Laddok, Leader, Pledge, Basagran-plus, Graminon-plus, Basagran M, Basagran DP, Basagran KV, Bentazon [ANSI], Basagran 480, Bentazon sodium salt, Caswell No. 509C, Bentazone [BSI:ISO], Spectrum_001851

Molecular Formula:	C₁₀H₁₂N₂O₃S	Molecular Weight:	240.278880 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZOMSMJKLGFBRBS-UHFFFAOYSA-N

• 3-(Cyclopropylaminocarbonyl)phenylboronic Acid

IUPAC Name: [3-(cyclopropylcarbamoyl)phenyl]boronic acid | CAS Registry Number: 850567-23-6
Synonyms: 3-(Cyclopropylaminocarbonyl)phenylboronic acid, 3-(Cyclopropylaminocarbonyl)benzeneboronic acid, (3-(Cyclopropylcarbamoyl)phenyl)boronic acid, [3-(cyclopropylcarbamoyl)phenyl]boronic Acid, [3-(Cyclopropylaminocarbonyl)Phenyl]Boronic Acid, ACMC-209q0c, SureCN148956, AC1MZL97, CTK5F3912, MolPort-001-760-442, AC1Q7149, ANW-37978, AKOS015840752, AB20418, AG-H-41189, OR13158, 3-(cyclopropylcarbamoyl)phenylboronic acid, AK-84305, BP-10881, KB-27535

Molecular Formula:	C₁₀H₁₂BNO₃	Molecular Weight:	205.018180 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: ACYLEYDBPWXTIO-UHFFFAOYSA-N

• 2'-Deoxyguanosine 5'-monophosphate disodium salt

IUPAC Name: disodium [5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphate | CAS Registry Number: 33430-61-4
Synonyms: EINECS 251-517-5, 2'-Deoxyguanosine 5'-(disodium phosphate), 902-04-5

Molecular Formula:	C₁₀H₁₂N₅Na₂O₇P	Molecular Weight:	391.184881 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	11

InChIKey: CTPAMSRBXKGZCJ-UHFFFAOYSA-L

• 5,6,7,8-Tetrahydro-1-naphthol

IUPAC Name: 5,6,7,8-tetrahydronaphthalen-1-ol | CAS Registry Number: 529-35-1
Synonyms: 5-Hydroxytetralin, Tetrahydro-.alpha.-naphthol, T13404_ALDRICH, 1-Naphthalenol, 5,6,7,8-tetrahydro-, 1-Naphthol, 5,6,7,8-tetrahydro-, Tetrahydro-alpha-naphthol (VAN), 5,6,7,8-tetrahydronaphthalen-1-ol, NSC28822, EINECS 208-461-1, 5,6,7,8-Tetrahydro-alpha-naphthol, NSC 28822, ZINC03860772, 5,6,7,8-Tetrahydro-1-naphthalenol, 5,6,7,8-Tetrahydro-.alpha.-naphthol, 1-Naphthol, 5,6,7,8-tetrahydro- (8CI), 1-Naphthalenol, 5,6,7,8-tetrahydro- (9CI), TN1, InChI=1/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H

Molecular Formula:	C₁₀H₁₂O	Molecular Weight:	148.201680 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: SCWNNOCLLOHZIG-UHFFFAOYSA-N

• (R)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid

IUPAC Name: (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid | CAS Registry Number: 103733-65-9
Synonyms: (r)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylicacid, (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 1,2,3,4-D-tetrahydroisoquinoline-3-carboxylic acid, D-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, (R)-(+)-1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid, AC1LEHRS, SureCN288260, (R)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, AC1Q5QX4, KSC174K4J, 87433_ALDRICH, Jsp000377, 87433_FLUKA, CTK0H4544, MolPort-001-758-754, BB_NC-1451, KST-1A8052, ANW-43631, AR-1A7804, AKOS010367109

Molecular Formula:	C₁₀H₁₁NO₂	Molecular Weight:	177.199840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: BWKMGYQJPOAASG-SECBINFHSA-N

• 2-Oxo-4-phenyl-butyric acid

IUPAC Name: 2-oxo-4-phenylbutanoic acid | CAS Registry Number: 710-11-2
Synonyms: 2-Oxo-4-phenylbutyric acid, 2-oxo-4-phenylbutanoic acid, Benzenebutanoic acid, alpha-oxo-, AIDS189857, AIDS-189857, EINECS 211-916-7, GL-0706

Molecular Formula:	C₁₀H₁₀O₃	Molecular Weight:	178.184600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: PPKAIMDMNWBOKN-UHFFFAOYSA-N

• 4-(Bromomethyl)benzoic acid ethyl ester

IUPAC Name: ethyl 4-(bromomethyl)benzoate | CAS Registry Number: 26496-94-6
Synonyms: Ethyl 4-(bromomethyl)benzoate, SBB063062, 4-Bromomethyl-benzoic acid ethyl ester, ZINC00559407, zlchem 925, ACMC-1CKNV, AC1LIH7F, SureCN245250, Ethyl 4-bromomethylbenzoate, Ethyl (4-Bromomethyl)benzoate, Jsp005201, 4-(Ethoxycarbonyl)benzyl bromide, CTK4F8012, ZLD0389, MolPort-001-001-146, ACT05732, ANW-64103, alpha-Bromo-4-(ethoxycarbonyl)toluene, AKOS000294915, AG-E-83464

Molecular Formula:	C₁₀H₁₁BrO₂	Molecular Weight:	243.097140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: TWQLMAJROCNXEA-UHFFFAOYSA-N

• 3-(3,4-Methylenedioxyphenyl)propionic acid

IUPAC Name: 3-(1,3-benzodioxol-5-yl)propanoic acid | CAS Registry Number: 2815-95-4
Synonyms: Maybridge1_000762, 1,3-Benzodioxole-5-propanoic acid, Oprea1_823033, 657565_ALDRICH, EINECS 220-565-9, 3,4-Methylenedioxyhydrocinnamic acid, Benzo-1,3-dioxole-5-propionic acid, NSC 55524, 3,4-(Methylenedioxy)hydrocinnamic acid, NSC55524, BRN 0181735, Hydrocinnamic acid, 3,4-(methylenedioxy)-, WLN: T56 BO DO CHJ G2VQ, SBB000324, 3,4-Methylenedioxydihydrocinnamic acid, AI3-19943, SDCCGMLS-0065841.P001, LS-77213, .beta.(3,4-Methylenedioxyphenyl)propionic acid, 5-19-07-00319 (Beilstein Handbook Reference)

Molecular Formula:	C₁₀H₁₀O₄	Molecular Weight:	194.184000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: UIYJGLLTSVRSBM-UHFFFAOYSA-N

• 2-Chloro-5-(1,1-dimethylethyl)-1,3-dinitrobenzene

IUPAC Name: 5-tert-butyl-2-chloro-1,3-dinitrobenzene | CAS Registry Number: 2213-81-2
Synonyms: EINECS 218-672-0, CID75176, 4-tert-Butyl-2,6-dinitrochlorobenzene

Molecular Formula:	C₁₀H₁₁ClN₂O₄	Molecular Weight:	258.658340 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: FRFMLDNFLXIDSH-UHFFFAOYSA-N

• 3-Nitrobutyrophenone

IUPAC Name: 1-(3-nitrophenyl)butan-1-one | CAS Registry Number: 50766-86-4
Synonyms: m-Nitrobutyrophenone, 3'-Nitrobutyrophenone, 1-Butanone, 1-(3-nitrophenyl)-, 1-(3-Nitrophenyl)-1-butanone, MolPort-001-797-400, NSC210921, CID142747, ZINC01746599, T0518-0618

Molecular Formula:	C₁₀H₁₁NO₃	Molecular Weight:	193.199240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: HJLRYDBRORTQIU-UHFFFAOYSA-N

• 3',5'-Anhydrothymidine

IUPAC Name: 1-[(1S,3R,5R)-4,7-dioxabicyclo[3.2.0]heptan-3-yl]-5-methylpyrimidine-2,4-dione | CAS Registry Number: 38313-48-3
Synonyms: ZINC15657777, AK135243, P776, KB-179363

Molecular Formula:	C₁₀H₁₂N₂O₄	Molecular Weight:	224.213280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: OAWLMYIJZBBZTP-XLPZGREQSA-N

• 4-n-Propoxybenzoic acid

IUPAC Name: 4-propoxybenzoic acid | CAS Registry Number: 5438-19-7
Synonyms: 4-Propoxybenzoic acid, p-Propoxybenzoic acid, Enamine_004326, Benzoic acid, p-propoxy-, Benzoic acid, 4-propoxy-, p-(n-Propoxy)benzoic acid, MLS000776293, 366390_ALDRICH, ARONIS010002, AIDS027806, AIDS-027806, ALBB-000777, NSC16632, CID138500, SBB006543, FR-1009, SMR000371296

Molecular Formula:	C₁₀H₁₂O₃	Molecular Weight:	180.200480 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: GDFUWFOCYZZGQU-UHFFFAOYSA-N

• 8-Amino-2-methylquinoline

IUPAC Name: 2-methylquinolin-8-amine | CAS Registry Number: 18978-78-4
Synonyms: 8-Aminoquinaldine, nchembio794-comp13, 8-AMINOQUINOLINE, 2-Methyl-8-quinolinamine, 8-Quinolinamine, 2-methyl-, 2-Methyl-quinolin-8-ylamine, MLS000718875, NSC7944, SBB010401, ZINC01586322, BAS 08909099, SMR000291143

Molecular Formula:	C₁₀H₁₀N₂	Molecular Weight:	158.199800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: JHIAOWGCGNMQKA-UHFFFAOYSA-N

• 3-(2-Bromoethyl)indole

IUPAC Name: 3-(2-bromoethyl)-1H-indole | CAS Registry Number: 3389-21-7
Synonyms: 3-(2-Bromoethyl)-1H-indole, 376523_ALDRICH, ZINC00160295, CID76924, EINECS 222-219-2, ST5408943, B-8070

Molecular Formula:	C₁₀H₁₀BrN	Molecular Weight:	224.097100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: NTLAICDKHHQUGC-UHFFFAOYSA-N

• (S)-3-Amino-3-(3,4-difluorophenyl)butanoic acid hydrochloride

IUPAC Name: (3S)-3-amino-4-(3,4-difluorophenyl)butanoic acid;hydrochloride | CAS Registry Number: 270063-53-1
Synonyms: (S)-3-AMINO-4-(3,4-DIFLUOROPHENYL)BUTANOIC ACID HYDROCHLORIDE, (S)-3-Amino-4-(3,4-difluoro-phenyl)-butyric acid-HCl, 332061-67-3, AC1MC5F1, CTK1A1453, MolPort-003-794-131, (3S)-3-amino-4-(3,4-difluorophenyl)butanoic Acid Hydrochloride, VC30329, AK119242, KB-211426, RT-008192, TL8002166, 3,4-Difluoro-L-beta-homophenylalanine hydrochloride, I01-9268, (S)-3-Amino-4-(3,4-difluorophenyl)butyric acid hydrochloride

Molecular Formula:	C₁₀H₁₂ClF₂NO₂	Molecular Weight:	251.657586 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: OWXYSJXKMBDHAS-FJXQXJEOSA-N

• 4-Hydroxybenzylideneacetone

IUPAC Name: (E)-4-(4-hydroxyphenyl)but-3-en-2-one | CAS Registry Number: 3160-35-8
Synonyms: p-Hydroxybenzalacetone, Ambap499, 4-Hydroxycinnamoylmethane, 4-Hydroxybenzal acetone, p-Hydroxybenzylidene acetone, 1-(4-Hydroxybenzylidene)acetone, 4-(p-Hydroxyphenyl)-3-buten-2-one, AIDS017763, AIDS-017763, EINECS 221-607-9, NSC 26516, ZINC00301268, 4-(4-Hydroxyphenyl)but-3-en-2-one, 3-Buten-2-one, 4-(p-hydroxyphenyl)-, 3-Buten-2-one, 4-(4-hydroxyphenyl)-, AI3-30539, AI3-35956, C12088, 3-Buten-2-one, 4-(4-hydroxyphenyl)-, (E)-, 22214-30-8

Molecular Formula:	C₁₀H₁₀O₂	Molecular Weight:	162.185200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: OCNIKEFATSKIBE-NSCUHMNNSA-N

• 2-tert-Butyl-1,4-benzoquinone

IUPAC Name: 2-tert-butylcyclohexa-2,5-diene-1,4-dione | CAS Registry Number: 3602-55-9
Synonyms: tert-Butylquinone, t-Butylquinone, tert-Butylbenzoquinone, tert-Butyl-p-quinone, 2-tert-Butyl quinone, tert-Butyl-p-benzoquinone, 2-tert-Butyl-p-quinone, 2-tert-Butyl-4-quinone, 2-tert-Butyl-p-benzoquinone, tert-Butyl-1,4-benzoquinone, CCRIS 1263, p-BENZOQUINONE, 2-tert-BUTYL-, 429074_ALDRICH, EINECS 222-757-8, NSC 124503, BRN 1860944, NSC124503, LS-40326, 2,5-Cyclohexadiene-1,4-dione, 2-(1,1-dimethylethyl)-, 2-(1,1-Dimethylethyl)-2,5-cyclohexadien-1,4-dione

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: NCCTVAJNFXYWTM-UHFFFAOYSA-N

• 2,5-Dimethoxy Naphthalene

IUPAC Name: 6-hydroxy-3,4-dihydro-2H-naphthalen-1-one | CAS Registry Number: 3470-50-6
Synonyms: 6-Hydroxy-1-tetralone, 6-Hydroxy-3,4-dihydronaphthalen-1(2H)-one, 1-Tetralon-6-ol, 6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone, SBB066989, AG-F-19000, 6-hydroxy-2,3,4-trihydronaphthalen-1-one, 6-hydroxy-3,4-dihydro-2H-naphthalen-1-one, 6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-one, ZINC04108295, ACMC-1CSWP, AC1NF8AV, SureCN228128, KSC497M4H, 480576_ALDRICH, AC1Q797A, Jsp006283, CTK3J7643, MolPort-001-828-311, AKOS005258189

Molecular Formula:	C₁₀H₁₀O₂	Molecular Weight:	162.185200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: FNSQPQKPPGALFA-UHFFFAOYSA-N

• 4-Aminodiphenylamine sulfate

IUPAC Name: 1-N-phenylbenzene-1,4-diamine; sulfuric acid | CAS Registry Number: 4698-29-7
Synonyms: p-Aminodiphenylamine sulfate, N-Phenyl-p-phenylenediamine sulfate, EINECS 225-173-1, N-Phenyl-1,4-benzenediamine sulfate, Bis(N-phenylbenzene-p-diamine) sulphate, N-Phenyl-p-phenylenediamine, hemisulfate, 1,4-Benzenediamine, N-phenyl-, sulfate (2:1), 101-54-2

Molecular Formula:	C₂₄H₂₆N₄O₄S	Molecular Weight:	466.552640 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: ZRFXOEFNFAPWJA-UHFFFAOYSA-N

• 4-Phenoxybutyric acid

IUPAC Name: 4-(phenoxy)butanoic acid | CAS Registry Number: 6303-58-8
Synonyms: Butyric acid, 4-phenoxy-, gamma-Phenoxybutyric acid, Butanoic acid, 4-phenoxy-, 4-Phenoxybutanoic acid, 4-PHENOXYBUTYRIC ACID, .gamma.-Phenoxybutyric acid, 77720_FLUKA, EINECS 228-603-6, NSC 43294, NSC 64178, Butanoic acid, 4-phenoxy- (9CI), NSC43294, NSC64178, BRN 1640610, SBB015389, LS-48143, 4-06-00-00645 (Beilstein Handbook Reference), 38669-42-0

Molecular Formula:	C₁₀H₁₂O₃	Molecular Weight:	180.200480 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: YKYVPFIBWVQZCE-UHFFFAOYSA-N

• 2,3-dihydro-5-benzofuranacetic acid

IUPAC Name: 6-(trifluoromethyl)pyridine-3-carboximidamide;hydrochloride | CAS Registry Number: 221313-11-7
Synonyms: 6-(trifluoromethyl)nicotinamidine hydrochloride, 6-(Trifluoromethyl)pyridine-3-amidine hydrochloride, 6-(Trifluoromethyl)pyridine-3-carboxamidine hydrochloride, AC1MC3GE, Ambpe6000012, SureCN4394798, CTK7D1913, 6-(trifluoromethyl)pyridine-3-carboximidamide Hydrochloride, MolPort-000-159-135, SBB096876, AKOS015849489, AG-A-88528, RP05375, KB-83855, Y8324, 6-(trifluoromethyl)pyridine-3-amidinehydrochloride, 3S107544, 6-(Trifluoromethyl)nicotinamidine hydrochloride 99%, I02-4335

Molecular Formula:	C₇H₇ClF₃N₃	Molecular Weight:	225.598790 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: HUKUESHULWUKHP-UHFFFAOYSA-N

• 5-Amino-3-(4-methylphenyl)pyrazole

IUPAC Name: 5-(4-methylphenyl)-1H-pyrazol-3-amine | CAS Registry Number: 78597-54-3
Synonyms: 3-(4-methylphenyl)-1H-pyrazol-5-amine, 5-p-Tolyl-2H-pyrazol-3-ylamine, 3-Amino-5-p-Tolylpyrazole, 3-Amino-5-(4-methylphenyl)-1H-pyrazole, 5-(4-methylphenyl)-1h-pyrazol-3-amine, 3-p-tolyl-1h-pyrazol-5-amine, SBB017973, 895042-38-3, BAS 00705173, 151293-15-1, 3-(4-methylphenyl)pyrazole-5-ylamine, AC1LEIUX, PubChem12117, SMR000116934, ACMC-209peq, AC1Q4XSC, ChemDiv3_009986, SureCN1143959, SureCN1662946, MLS000526460

Molecular Formula:	C₁₀H₁₁N₃	Molecular Weight:	173.214440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: GVPFRVKDBZWRCZ-UHFFFAOYSA-N

• (S)-3-Amino-4-(3-fluorophenyl)butanoic acid hydrochloride

IUPAC Name: (3S)-3-amino-4-(3-fluorophenyl)butanoic acid;hydrochloride | CAS Registry Number: 270596-50-4
Synonyms: (S)-3-AMINO-4-(3-FLUOROPHENYL)BUTANOIC ACID HYDROCHLORIDE, AC1MC59P, (s)-3-amino-4-(3-fluorophenyl)butyric acid hydrochloride, CTK8E9391, MolPort-003-794-041, (3S)-3-amino-4-(3-fluorophenyl)butanoic Acid Hydrochloride, SBB063718, AKOS015889637, AK114885, KB-211430, TL8002185, 3-Fluoro-L-beta-homophenylalanine hydrochloride, (S)-3-Amino-4-(3-fluoro-phenyl)-butyric acid-HCl

Molecular Formula:	C₁₀H₁₃ClFNO₂	Molecular Weight:	233.667123 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: HLJRPTAKNOUJAW-FVGYRXGTSA-N

• 2-Acetoxy-3-methylbenzoic acid

IUPAC Name: 2-acetyloxy-3-methylbenzoic acid | CAS Registry Number: 4386-39-4
Synonyms: 2-Acetoxy-m-toluic acid, Spectrum_001374, Maybridge3_006075, Spectrum2_000555, Spectrum3_001816, Spectrum4_000260, Spectrum5_001737, BSPBio_003431, KBioGR_000700, KBioSS_001854, SPECTRUM1401414, SPBio_000629, KBio2_001854, KBio2_004422, KBio2_006990, KBio3_002934, AIDS018058, AIDS-018058, NSC49105, 2-(Acetyloxy)-3-methylbenzoic acid

Molecular Formula:	C₁₀H₁₀O₄	Molecular Weight:	194.184000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: XRBMKGUDDJPAMH-UHFFFAOYSA-N

• 2-(4-Chlorophenoxy)-2-methylpropanoyl chloride

IUPAC Name: 2-(4-chlorophenoxy)-2-methylpropanoyl chloride | CAS Registry Number: 5542-60-9
Synonyms: 2-(4-chlorophenoxy)-2-methylpropanoyl chloride, AG-F-93724, AC1MCZRI, AC1Q1NP2, CTK5A3580, MolPort-000-145-470, ANW-47069, BBL014155, SBB050677, ZINC02582020, AKOS000297239, MCULE-4622748533, AK-49903, BR-49903, EN002328, KB-14816, BB 0244891, FT-0608610, W6944, 2-(4-Chloro-phenoxy)-2-methyl-propionyl chloride

Molecular Formula:	C₁₀H₁₀Cl₂O₂	Molecular Weight:	233.091200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: OODRWLGKUBMFLZ-UHFFFAOYSA-N

• 4-Formylphenyl propionate

IUPAC Name: (4-formylphenyl) propanoate | CAS Registry Number: 50262-48-1
Synonyms: p-Propionoxybenzaldehyde, 4-n-Propionyloxybenzaldehyde, 4-Propionyloxybenzaldehyde, Benzaldehyde, 4-(1-oxopropoxy)-, ALBB-001395, SBB008232, ZINC02168716, FR-1091, AI3-32040

Molecular Formula:	C₁₀H₁₀O₃	Molecular Weight:	178.184600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: NKXPJXVTMWLHBC-UHFFFAOYSA-N

• 2',3'-Dideoxy-2',3'-Didehydroinosine

IUPAC Name: 9-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3H-purin-6-one | CAS Registry Number: 42867-68-5
Synonyms: AIDS001722, AIDS-001722, 2',3'-Dideoxy-2',3'-didehydroinosine, CID452340, Inosine, 2',3'-didehydro-2',3'-dideoxy-, I07-0100, D4I

Molecular Formula:	C₁₀H₁₀N₄O₃	Molecular Weight:	234.211400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: TYQPBHYPIRLWKU-NKWVEPMBSA-N

• 2-Methoxyhydrocinnamic acid

IUPAC Name: 3-(2-methoxyphenyl)propanoic acid | CAS Registry Number: 6342-77-4
Synonyms: o-Methoxyhydrocinnamic acid, Maybridge1_000611, 3-(2-Methoxyphenyl)propionic acid, M23500_ALDRICH, 3-(o-Methoxyphenyl)propionic acid, 65230_FLUKA, 3-(2-Methoxyphenyl)propanoic acid, ALBB-006024, CID80652, NSC46646, EINECS 228-738-0, SBB003749, beta-(o-METHOXYPHENYL)PROPIONIC ACID, SR-01000634937-1, 25173-35-7

Molecular Formula:	C₁₀H₁₂O₃	Molecular Weight:	180.200480 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: XSZSNLOPIWWFHS-UHFFFAOYSA-N

• (S)-3-Amino-4-(2,4-dichlorophenyl)butanoic acid hydrochloride

IUPAC Name: (3S)-3-amino-4-(2,4-dichlorophenyl)butanoic acid;hydrochloride | CAS Registry Number: 270063-47-3
Synonyms: (S)-3-AMINO-4-(2,4-DICHLOROPHENYL)BUTANOIC ACID HYDROCHLORIDE, AC1MC5ED, (S)-3-Amino-4-(2,4-dichloro-phenyl)-butyric acid-HCl, CTK1A1456, MolPort-003-794-119, (3S)-3-amino-4-(2,4-dichlorophenyl)butanoic Acid Hydrochloride, AKOS015948918, AG-E-85734, AK114857, KB-211419, TL8002164, (S)-3-Amino-4-(2,4-dichloro-phenyl)butyric acid hydrochloride, (3S)-3-Amino-4-(2,4-dichlorophenyl)butanoic acid hydrochloride;(3S)-3-Amino-4-(2,4-dichlorophenyl)butanoic acid hydrochloride (1:1);Benzenebutanoic acid, A'A|Afas-amino-2,4-dichloro-, (betaS)-, hydrochloride (1:1);(S)-3-Amino-4-(2,4-dichloro-phenyl)-butyric acid-HCl;TL8002164;

Molecular Formula:	C₁₀H₁₂Cl₃NO₂	Molecular Weight:	284.566780 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: JNGZEMBEPQATGG-QRPNPIFTSA-N

• [4-(1H-Pyrazol-1-yl)phenyl]methanol

IUPAC Name: (4-pyrazol-1-ylphenyl)methanol | CAS Registry Number: 143426-49-7
Synonyms: ZINC00158884, CA-0710, CID2776480, SDCCGMLS-0066005.P001

Molecular Formula:	C₁₀H₁₀N₂O	Molecular Weight:	174.199200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: MMGMLIHSHFKRDK-UHFFFAOYSA-N