Shanghai Chemrole Co., Ltd.

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Profile: Shanghai Chemrole Co., Ltd. specializes in providing active pharmaceutical ingredients and fine chemicals. Our active pharmaceutical ingredients include travoprost, latanoprost, isopropyl unoprostone, bimatoprost, alprostadil, lubiprostone, etiproston, dinoprostone, cloprostenol and tiaprost. We offer a wide range of fine chemicals including 2,4-dichloropyrimidine, 4,6- dichloropyrimidine, 4,6-dichloro-2-methylpyrimidine, 2-amino-4,6-dimethylpyrimidine, 2-amino-4-chloro-6-methoxypyrimidine, 3-nitrobenzotrifluoride, 3-aminotrifluorotoluene and 2,3-difluoro-5-chloro pyridine.

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• 1-Pentylbenzene

IUPAC Name: pentylbenzene | CAS Registry Number: 538-68-1
Synonyms: Pentylbenzene, Amylbenzene, Benzene, pentyl-, Phenylpentane, 1-Phenylpentane, n-Pentylbenzene, N-AMYLBENZENE, Butyl toluene, 1-Phenyl-n-pentane, Pentane, 1-phenyl-, Butylmethylbenzene, Benzene, butylmethyl-, NCIOpen2_000506, 113174_ALDRICH, 77078_FLUKA, 77080_FLUKA, EINECS 208-701-5, NSC 73982, NSC73982, AI3-00452

Molecular Formula:	C₁₁H₁₆	Molecular Weight:	148.244740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: PWATWSYOIIXYMA-UHFFFAOYSA-N

• (S)-Glycidol

IUPAC Name: [(2R)-oxiran-2-yl]methanol | CAS Registry Number: 60456-23-7
Synonyms: (R)-Oxiranemethanol, (R)-Glycidol, R(+)-glycidol, (+)-Glycidol, (R)-()-Glycidol, (R)-(+)-Glycidol, (2R)-oxiran-2-ylmethanol, (R)-()-Oxirane-2-methanol, (R)-3-hydroxy-1,2-epoxypropane, 480819_ALDRICH, CHEBI:18664, c0082, ZINC00900548, (R)-(+)-2,3-Epoxy-1-propanol, TL8003674, InChI=1/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H, 556-52-5, 57044-25-4

Molecular Formula:	C₃H₆O₂	Molecular Weight:	74.078540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CTKINSOISVBQLD-GSVOUGTGSA-N

• (S)-Glycidyl tosylate

IUPAC Name: [(2S)-oxiran-2-yl]methyl 4-methylbenzenesulfonate | CAS Registry Number: 70987-78-9
Synonyms: Glycidyl tosylate, (+)-Glycidyl tosylate, (2S)-(+)-Glycidyl tosylate, CCRIS 6400, (2S)-()-Glycidyl tosylate, 540129_ALDRICH, (S)-()-Glycidyl p-toluenesulfonate, BRN 3592143, CID153296, NSC636971, ZINC01624985, NCI60_012248, LS-101059, Oxiranemethanol, 4-methylbenzenesulfonate, (S)-, ST5319392, TL8004999, (S)-()-Oxirane-2-methanol p-toluenesulfonate, 5-17-03-00047 (Beilstein Handbook Reference)

Molecular Formula:	C₁₀H₁₂O₄S	Molecular Weight:	228.264880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: NOQXXYIGRPAZJC-VIFPVBQESA-N

• 4,6-Dimethyl-2-Methylmercapyrimidine

IUPAC Name: 4,6-dimethyl-2-methylsulfanylpyrimidine | CAS Registry Number: 14001-64-0
Synonyms: 4,6-Dimethyl-2-methylmercapyrimidine, 4,6-Dimethyl-2-methylsulfanylpyrimidine, SBB043156, 4,6-Dimethyl-2-methylmercaptopyrimidine, 4,6-Dimethyl-2-methylsulfanyl-pyrimidine, 4,6-DIMETHYL-2-(METHYLSULFANYL)PYRIMIDINE, PubChem21504, SureCN1885381, MolPort-005-933-684, 4,6-dimethyl-2-methylthiopyrimidine, AC-869, STL352691, ZINC02568429, AKOS000273590, 4,6-Dimethyl-2-(methylthio)pyrimidine, 4,6-Dimethyl-2-methyl mercapyrimidine, MCULE-5456354941, RP21875, AK-29836, HC210401

Molecular Formula:	C₇H₁₀N₂S	Molecular Weight:	154.232700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: LMTOWNMJYBIWTI-UHFFFAOYSA-N

• 2,4,5-Trimethylthiazole

IUPAC Name: 2,4,5-trimethyl-1,3-thiazole | CAS Registry Number: 13623-11-5
Synonyms: Trimethylthiazole, Thiazole, trimethyl-, Thiazole, 2,4,5-trimethyl-, W332518_ALDRICH, FEMA No. 3325, 219185_ALDRICH, EINECS 237-107-9, NSC170614, ZINC00407028, NSC 170614, Thiazole, 2,4,5-trimethyl- (8CI)(9CI), InChI=1/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H

Molecular Formula:	C₆H₉NS	Molecular Weight:	127.207360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: BAMPVSWRQZNDQC-UHFFFAOYSA-N

• 2-Amino-5-Fluoro Benzoic Acid

IUPAC Name: 2-amino-5-fluorobenzoic acid | CAS Registry Number: 446-08-2
Synonyms: 5-Fluoroanthranilic acid, 5-fluoroanthranilate, 2-Amino-5-fluorobenzoic acid, 367982_ALDRICH, 07973_FLUKA, ALBB-006133, ALD-N000063, EINECS 207-159-7, CPD0-1487, NSC513308, TL8003110, 3S104446, InChI=1/C7H6FNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11

Molecular Formula:	C₇H₆FNO₂	Molecular Weight:	155.126443 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: FPQMGQZTBWIHDN-UHFFFAOYSA-N

• 4-(3,4-DichloroPhenyl)-1-Tetralone

IUPAC Name: 4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one | CAS Registry Number: 79560-19-3
Synonyms: 4-(3,4-Dichlorophenyl)-1-tetralone, 4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one, 124379-29-9, SBB063227, AG-H-19142, 4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone, 79836-44-5, 4-(3,4-Dichlorophenyl)-3,4-dihydronaphthalen-1(2H)-one, 4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphtalene-1-one, ACMC-20emtd, PubChem2561, AC1MWATD, SureCN260267, SureCN7736643, KSC377A8J, 1(2H)-Naphthalenone,4-(3,4-dichlorophenyl)-3,4-dihydro-, (4S)-, CTK2H7084, MolPort-003-846-595, ANW-51359, 4-(3,4-Dichloro Phenyl)-Tetralone

Molecular Formula:	C₁₆H₁₂Cl₂O	Molecular Weight:	291.171880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: JGMBHJNMQVKDMW-UHFFFAOYSA-N

• 4-Methoxybenzoic Acid Sodium

IUPAC Name: 2-chloro-4,6-dimethoxypyrimidine | CAS Registry Number: 13223-25-1
Synonyms: 2-Chloro-4,6-dimethoxypyrimidine, 2-chloro-4,6-dimethoxy-pyrimidine, PubChem7010, ACMC-1CB5H, AC1NP78R, KSC495M8N, 61336_ALDRICH, AC1Q49B7, 61336_FLUKA, CTK3J5686, PBEKEFWBLFBSGQ-UHFFFAOYSA-, 4,6-dimethoxy-2-chloropyrimidine, MolPort-001-792-981, 2-chloro-4,6-dimethoxy pyrimidine, ACT01488, ANW-19419, ZINC02564876, AKOS005255432, AC-6768, AG-D-65505

Molecular Formula:	C₆H₇ClN₂O₂	Molecular Weight:	174.584980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: PBEKEFWBLFBSGQ-UHFFFAOYSA-N

• 4-Nitroindole

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

Molecular Formula:	C₈H₆N₂O₂	Molecular Weight:	162.145440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: LAVZKLJDKGRZJG-UHFFFAOYSA-N

• (1S)-(-)-Camphanic chloride

IUPAC Name: (1R,4S)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl chloride | CAS Registry Number: 39637-74-6
Synonyms: Camphanoylchloride, Camphanoyl chloride, Ambap5166, 226173_ALDRICH, 21287_FLUKA, (−)-Camphanoyl chloride, EINECS 254-552-4, ZINC02508200, 3-Oxa-2-oxobornane-4-carbonyl chloride, (1S)-(−)-Camphanic chloride, (1S)-3-Oxo-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride, 2-Oxabicyclo(2.2.1)heptane-1-carbonyl chloride, 4,7,7-trimethyl-3-oxo-, (1S)-

Molecular Formula:	C₁₀H₁₃ClO₃	Molecular Weight:	216.661420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: PAXWODJTHKJQDZ-VHSXEESVSA-N

• (R)-Glycidol

IUPAC Name: [(2R)-oxiran-2-yl]methanol | CAS Registry Number: 57044-25-4
Synonyms: (R)-Oxiranemethanol, R(+)-glycidol, (+)-Glycidol, (R)-()-Glycidol, (R)-(+)-Glycidol, (2R)-oxiran-2-ylmethanol, (R)-()-Oxirane-2-methanol, (R)-3-hydroxy-1,2-epoxypropane, 480819_ALDRICH, CHEBI:18664, c0082, ZINC00900548, (R)-(+)-2,3-Epoxy-1-propanol, TL8003674, InChI=1/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H, 556-52-5, 60456-23-7

Molecular Formula:	C₃H₆O₂	Molecular Weight:	74.078540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CTKINSOISVBQLD-GSVOUGTGSA-N

• 2,2-Dibromo-2-Cyanoacetamide

IUPAC Name: 2,2-dibromo-2-cyanoacetamide | CAS Registry Number: 10222-01-2
Synonyms: Dbnpa, Dibromocyanoacetamide, XD-7287l Antimicrobial, Caswell No. 287AA, NCIOpen2_006184, 2,2-Dibromo-3-nitrilopropionamide, 2,2-DIBROMO-2-CYANOACETAMIDE, Acetamide, 2,2-dibromo-2-cyano-, HSDB 6982, Dibromocyano acetic acid amide, 2,2-Dibromo-2-carbamoylacetonitrile, 540978_ALDRICH, Acetamide, 2-cyano-2,2-dibromo-, XD 7287L, EINECS 233-539-7, XD-1603, NSC 98283, EPA Pesticide Chemical Code 101801, CID25059, NSC98283

Molecular Formula:	C₃H₂Br₂N₂O	Molecular Weight:	241.868780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: UUIVKBHZENILKB-UHFFFAOYSA-N

• 2-Methylindole

IUPAC Name: 2-methyl-1H-indole | CAS Registry Number: 95-20-5
Synonyms: 2-METHYLINDOLE, 2-Methyl-1H-indole, Indole, 2-methyl-, 1H-Indole, 2-methyl-, M51407_ALDRICH, Indole, 2-methyl- (8CI), ARONIS020142, NSC 7514, EINECS 202-398-3, NSC7514, ZINC01088076, AI3-03945, LS-83246, LS-83247, ST040425, TL8005985, M-3895, InChI=1/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H, 2MI

Molecular Formula:	C₉H₉N	Molecular Weight:	131.174460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: BHNHHSOHWZKFOX-UHFFFAOYSA-N

• 3,4-Difluoronitrobenzene

IUPAC Name: 1,2-difluoro-4-nitrobenzene | CAS Registry Number: 369-34-6
Synonyms: 1,2-Difluoro-4-nitrobenzene, Ambap1719, Benzene, 1,2-difluoro-4-nitro-, 288365_ALDRICH, EINECS 206-718-2, BRN 1944996, ZINC00152925, D129, LS-29842, TL8002726, 4-05-00-00720 (Beilstein Handbook Reference)

Molecular Formula:	C₆H₃F₂NO₂	Molecular Weight:	159.090326 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: RUBQQRMAWLSCCJ-UHFFFAOYSA-N

• 3,5-Dinitrobenzoic Acid

IUPAC Name: 3,5-dinitrobenzoic acid | CAS Registry Number: 99-34-3
Synonyms: Dinitrobenzoic acid, DNBA, 3,5-DINITROBENZOIC ACID, Benzoic acid, 3,5-dinitro-, 3-Carboxy-1,5-dinitrobenzene, CCRIS 3129, NCIOpen2_008996, 121258_ALDRICH, NSC 8732, EINECS 202-751-1, CID7433, NSC8732, SBB007840, AI3-01801, LS-37275, TL806408, ST5308043, BENZOIC ACID,3,5-DINITRO MFC7 H4 N2 O6, 57542-56-0, 64582-71-4

Molecular Formula:	C₇H₄N₂O₆	Molecular Weight:	212.116460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: VYWYYJYRVSBHJQ-UHFFFAOYSA-N

• 5-Nitroindole

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

Molecular Formula:	C₈H₆N₂O₂	Molecular Weight:	162.145440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: OZFPSOBLQZPIAV-UHFFFAOYSA-N

• 6-Ethoxy-2,2,4-Trimethyl-1,2-Dihydroquinoline

IUPAC Name: 6-ethoxy-2,2,4-trimethyl-1H-quinoline | CAS Registry Number: 91-53-2
Synonyms: ethoxyquin, Santoquin, Ethoxyquine, Santoquine, Niflex, Antioxidant EC, Santoflex A, Santoflex AW, Stop-Scald, Dawe's nutrigard, Nix-Scald, Nocrack AW, Quinol ED, Aries Antox, Niflex D, Antage AW, Nocrac AW, Permanax 103, Alterungsschutzmittel EC, Ethoxyquin [ISO]

Molecular Formula:	C₁₄H₁₉NO	Molecular Weight:	217.306760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DECIPOUIJURFOJ-UHFFFAOYSA-N

• 2-Amino-4,6-Dichloro Pyrimidine

IUPAC Name: 4,6-dichloropyrimidin-2-amine | CAS Registry Number: 56-05-3
Synonyms: 2-Amino-4,6-dichloropyrimidine, Py 11, 2-Pyrimidinamine, 4,6-dichloro-, CCRIS 7460, 4,6-Dichloro-2-pyrimidinamine, A48601_ALDRICH, 4,6-Dichloropyrimidin-2-ylamine, Pyrimidine, 2-amino-4,6-dichloro-, 07686_FLUKA, EINECS 200-253-9, NSC 18698, AIDS020791, AIDS-020791, NSC18698, BRN 0118454, SBB003919, ZINC01081248, AI3-52142, LS-134474, Pyrimidine, 2-amino-4,6-dichloro- (8CI)

Molecular Formula:	C₄H₃Cl₂N₃	Molecular Weight:	163.992720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: JPZOAVGMSDSWSW-UHFFFAOYSA-N

• 2-Ethyl Chloro-Propionate

IUPAC Name: ethyl 2-chloropropanoate | CAS Registry Number: 535-13-7
Synonyms: Ethyl 2-chloropropionate, Ethyl 2-chloropropanoate, Ethyl .alpha.-chloropropionate, 192414_ALDRICH, Propanoic acid, 2-chloro-, ethyl ester, 2-Chloropropionic acid, ethyl ester, Propionic acid, 2-chloro-, ethyl ester, AIDS017657, ETHYL ALPHA-CHLOROPROPIONATE, AIDS-017657, EINECS 208-610-0, NSC522671, UN2935, NSC 522671, alpha -chloropropionic acid, ethyl ester, AI3-39182, ST5409191, Propionic acid, 2-chloro-, ethyl ester (8CI), Ethyl 2-chloropropionate [UN2935] [Flammable liquid], 105309-19-1

Molecular Formula:	C₅H₉ClO₂	Molecular Weight:	136.576760 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: JEAVBVKAYUCPAQ-UHFFFAOYSA-N

• 3-Methylindole

IUPAC Name: 3-methyl-1H-indole | CAS Registry Number: 83-34-1
Synonyms: Skatole, Scatole, Skatol, 3-METHYLINDOLE, 3-Methyl-1H-indole, beta-Methylindole, Indole, 3-methyl-, 1H-Indole, 3-methyl-, 3 Methylindole, 3-methylindoline, methyl-3-indole, .beta.-Methylindole, 3-Methyl-4,5-benzopyrrole, 3-MI, FEMA No. 3019, CCRIS 8961, M51458_ALDRICH, HSDB 3511, MLS001332537, MLS001332538

Molecular Formula:	C₉H₉N	Molecular Weight:	131.174460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: ZFRKQXVRDFCRJG-UHFFFAOYSA-N

• 4,4-Diamino Diphenyl Methane

IUPAC Name: 4-[(4-aminophenyl)methyl]aniline | CAS Registry Number: 101-77-9
Synonyms: Dadpm, Dianilinomethane, Methylenedianiline, Tonox, Dianilinemethane, Curithane, 4,4'-Methylenedianiline, Epicure DDM, Epikure DDM, Sumicure M, Ancamine TL, Jeffamine AP-20, p,p'-Methylenedianiline, Diaminodiphenylmethane, Methylenebis(aniline), Bis(p-aminophenyl)methane, DAPM, Avaldite HT 972, Bis(4-aminophenyl)methane, p,p'-Diaminodiphenylmethane

Molecular Formula:	C₁₃H₁₄N₂	Molecular Weight:	198.263660 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: YBRVSVVVWCFQMG-UHFFFAOYSA-N

• 4-Hydroxypropiophenone

IUPAC Name: 1-(4-hydroxyphenyl)propan-1-one | CAS Registry Number: 70-70-2
Synonyms: Paroxypropione, Paroxypropion, Proxiphenon, Frenantol, Frenohypon, Frenormon, Hypophenon, Possipione, Profenone, Sterofenon, Hypostat, Ibiopopp, Paroxon, Frenon, Mepal, p-Propiophenol, Bio-fren, p-Propionylphenol, p-Oxypropiophenone, 4-Propionylphenol

Molecular Formula:	C₉H₁₀O₂	Molecular Weight:	150.174500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: RARSHUDCJQSEFJ-UHFFFAOYSA-N

• 2,3,4-Trifluoroaniline

IUPAC Name: 2,3,4-trifluoroaniline | CAS Registry Number: 3862-73-5
Synonyms: 2,3,4-Trifluoranilin, Aniline, 2,3,4-trifluoro-, Benzenamine, 2,3,4-trifluoro-, 304352_ALDRICH, 2,3,4-Trifluoranilin [Danish], 2,3,4-Trifluoranilin [German], 2,3,4-Trifluoraniline [Dutch], 2,3,4-Trifluoroaniline [French], 2,3,4-Trifluoroanilina [Italian], 2,3,4-Trifluoroanilina [Spanish], JRD-0607, BRN 3245609, SBB012347, ZINC00164526, 2,3,4-Trifluoroanilina [Portuguese], LS-28441, EE4071709, TL8002814, 4-12-00-01114 (Beilstein Handbook Reference), 3S211006

Molecular Formula:	C₆H₄F₃N	Molecular Weight:	147.097870 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: WRDGNXCXTDDYBZ-UHFFFAOYSA-N

• 2-Ethyl Pyrazine

IUPAC Name: 2-ethylpyrazine | CAS Registry Number: 13925-00-3
Synonyms: Ethylpyrazine, Pyrazine, ethyl-, Moldin, 2-ETHYLPYRAZINE, 2-Ethyl-1,4-diazine, FEMA No. 3281, CCRIS 2931, W328103_ALDRICH, 250384_ALDRICH, EINECS 237-691-5, AIDS081851, AIDS-081851, CID26331, BRN 0108200, ZINC04262348, LS-127612, ST5437416, 5-23-05-00402 (Beilstein Handbook Reference), InChI=1/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H, 1392-50-3

Molecular Formula:	C₆H₈N₂	Molecular Weight:	108.141120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: KVFIJIWMDBAGDP-UHFFFAOYSA-N

• 3,5-Diaminobenzoic Acid

IUPAC Name: 3,5-diaminobenzoic acid | CAS Registry Number: 535-87-5
Synonyms: 3,5-Diaminobenzoic acid, Benzoic acid, 3,5-diamino-, CCRIS 2885, Oprea1_662444, D12805_ALDRICH, EINECS 208-621-0, AIDS022750, AIDS-022750, BRN 2086484, AI3-52307, LS-36728, ST5308020, 4-14-00-01304 (Beilstein Handbook Reference), BENZOIC ACID,3,5-DIAMINO MFC7 H8 N2 O2, 618-56-4, InChI=1/C7H8N2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,8-9H2,(H,10,11, 67032-27-3

Molecular Formula:	C₇H₈N₂O₂	Molecular Weight:	152.150620 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: UENRXLSRMCSUSN-UHFFFAOYSA-N

• 4-Bromophenol

IUPAC Name: 4-bromophenol | CAS Registry Number: 106-41-2
Synonyms: p-Bromophenol, 4-BROMOPHENOL, Phenol, 4-bromo-, Phenol, p-bromo-, p-Bromophenic acid, p-Bromohydroxybenzene, CCRIS 632, B75808_ALDRICH, 442405_SUPELCO, NSC 4970, EINECS 203-394-4, NSC4970, AIDS017751, AIDS-017751, ZINC00404316, AI3-14903, TL806339, LS-104088, ST5214520, C14453

Molecular Formula:	C₆H₅BrO	Molecular Weight:	173.007300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: GZFGOTFRPZRKDS-UHFFFAOYSA-N

• 5-Amino Isophthalic Acid

IUPAC Name: 5-aminobenzene-1,3-dicarboxylic acid | CAS Registry Number: 99-31-0
Synonyms: 5-Aminoisophthalic acid, Isophthalic acid, 5-amino-, Oprea1_005424, 186279_ALDRICH, NSC60141, 1,3-Benzenedicarboxylic acid, 5-amino-, CID66833, EINECS 202-748-5, Isophthalic acid, 5-amino- (8CI), NSC 60141, 5-Aminobenzene-1,3-dicarboxylic acid, ST5308594, 5-AMINO-1,3-BENZENEDICARBOXYLIC ACID

Molecular Formula:	C₈H₇NO₄	Molecular Weight:	181.145480 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: KBZFDRWPMZESDI-UHFFFAOYSA-N

• 2-Bromonaphthalene

IUPAC Name: 2-bromonaphthalene | CAS Registry Number: 580-13-2
Synonyms: Naphthalene, 2-bromo-, 2-BROMONAPHTHALENE, 2-Naphthyl bromide, beta-Bromonaphthalene, .beta.-Bromonaphthalene, beta-Naphthyl bromide, .beta.-Naphthyl bromide, 183644_ALDRICH, 17660_FLUKA, NSC4011, NSC 4011, EINECS 209-452-5, AI3-19928, ST5406686, TL8003726, InChI=1/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7

Molecular Formula:	C₁₀H₇Br	Molecular Weight:	207.066580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: APSMUYYLXZULMS-UHFFFAOYSA-N

• 2-Amino-3-Methyl Benzoic Acid

IUPAC Name: 2-amino-3-methylbenzoic acid | CAS Registry Number: 4389-45-1
Synonyms: 2-Amino-3-methylbenzoic acid, 3-Methylanthranilic acid, 3-methylanthranilate, 3-Methylanthranil acid, 2-Amino-3-methylbenzate, 3 -methylanthranilic acid, 3-Methyl-2-aminobenzoic acid, m-Toluic acid, 2-amino-, Benzoic acid, 2-amino-3-methyl-, A62205_ALDRICH, 2-AMINO-M-TOLUIC ACID, 08401_FLUKA, m-Toluic acid, 2-amino- (8CI), NSC16049, EINECS 224-505-2, CPD0-1490, NSC 16049, Benzoic acid, 2-amino-3-methyl- (9CI), ST5437295, TL8003074

Molecular Formula:	C₈H₉NO₂	Molecular Weight:	151.162560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: WNAJXPYVTFYEST-UHFFFAOYSA-N

• 4-Bromo Diphenyl

IUPAC Name: 1-bromo-4-phenylbenzene | CAS Registry Number: 92-66-0
Synonyms: 4-BROMOBIPHENYL, p-Bromobiphenyl, 4-Bromodiphenyl, p-Bromodiphenyl, Biphenyl, 4-bromo-, 4-Biphenyl bromide, p-Phenylbromobenzene, p-Biphenylyl bromide, 4-Bromo-biphenyl, 4-Biphenylyl bromide, 1,1'-Biphenyl, 4-bromo-, p-Phenylphenyl bromide, (4-Bromophenyl)benzene, 4-Bromo-1,1'-biphenyl, CCRIS 5890, MLS002152887, 281999_ALDRICH, 36919_RIEDEL, 16480_FLUKA, EINECS 202-176-6

Molecular Formula:	C₁₂H₉Br	Molecular Weight:	233.103860 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: PKJBWOWQJHHAHG-UHFFFAOYSA-N

• 4,6-Diaminopyrimidine

IUPAC Name: pyrimidine-4,6-diamine | CAS Registry Number: 2434-56-2
Synonyms: 4,6-Pyrimidinediamine, pyrimidine-4,6-diamine, CID79608, NSC15007, NSC211429, SBB004336, ZINC00967323, TL8007030, AC-907/25014027, 77709-02-5

Molecular Formula:	C₄H₆N₄	Molecular Weight:	110.117240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: MISVBCMQSJUHMH-UHFFFAOYSA-N

• 4-n-Butylbenzoic acid

IUPAC Name: 4-butylbenzoic acid | CAS Registry Number: 20651-71-2
Synonyms: 4-Butylbenzoic acid, p-n-Butylbenzoic acid, p-Butylbenzoic acid, Benzoic acid, 4-butyl-, 230626_ALDRICH, EINECS 243-940-9, ST5406503

Molecular Formula:	C₁₁H₁₄O₂	Molecular Weight:	178.227660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: JFKUBRAOUZEZSL-UHFFFAOYSA-N

• 4-Bromoindole

IUPAC Name: 4-bromo-1H-indole | CAS Registry Number: 52488-36-5
Synonyms: 524336_ALDRICH, ZINC00039644, CID676494, B2073G1, ST5331239, TL8001555, B-8400, B-8404

Molecular Formula:	C₈H₆BrN	Molecular Weight:	196.043940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: GRJZJFUBQYULKL-UHFFFAOYSA-N

• 4-(4-Fluorophenyl)butyric acid

IUPAC Name: 5-(4-fluorophenyl)-5-oxopentanoic acid | CAS Registry Number: 149437-76-3
Synonyms: 4-(4-Fluorobenzoyl)butyric Acid, 5-(4-fluorophenyl)-5-oxopentanoic acid, 5-(4-Fluorophenyl)-5-oxovaleric Acid, 4-(4-Fluorobenzoyl)butyricacid, 4-fluorobenzoylbutyric acid, 4-(4-Fluorobenzoyl)butanoic acid, 4-fluorophenyl-5-oxopentanoic acid, 4-(4'-fluorobenzoyl) butyric acid, 4-(4-fluorobenzoyl)-1-butanoic acid, 4-fluoro-gamma-oxo-benzenepentanoic acid, 5-(4'-Fluorophenyl)-5-oxopentanoic acid, FBBA, AC1LENGO, PubChem13246, ACMC-209d2k, SureCN296337, p-Fluorobenzoylbutanoic acid, AC1Q75BX, Oprea1_166432, KSC489Q0D

Molecular Formula:	C₁₁H₁₁FO₃	Molecular Weight:	210.201643 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZBQROUOOMAMCQW-UHFFFAOYSA-N

• 2-(Trifluoromethyl)benzoyl chloride

IUPAC Name: 2-(trifluoromethyl)benzoyl chloride | CAS Registry Number: 312-94-7
Synonyms: NCIOpen2_005226, o-Trifluoromethylbenzoyl chloride, 249483_ALDRICH, JRD-0254, NSC88290, EINECS 206-233-6, NSC 88290, SBB006689, ZINC01847593, alpha,alpha,alpha-Trifluoro-o-toluoyl chloride, TL8002386

Molecular Formula:	C₈H₄ClF₃O	Molecular Weight:	208.564970 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: MXIUWSYTQJLIKE-UHFFFAOYSA-N

• 4,6-Dichloro-5-methoxypyrimidine

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

Molecular Formula:	C₅H₄Cl₂N₂O	Molecular Weight:	179.004060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: IJQIGKLDBGKSNT-UHFFFAOYSA-N

• 2-Phenylindole

IUPAC Name: 2-phenyl-1H-indole | CAS Registry Number: 948-65-2
Synonyms: Stabilizer I, Indole, 2-phenyl-, alpha-Phenylindole, 2-PHENYL-1H-INDOLE, 1H-Indole, 2-phenyl-, .alpha.-Phenylindole, TimTec1_005424, P26600_ALDRICH, MLS000701322, EINECS 213-436-3, NSC 15776, NSC15776, BRN 0132356, ZINC01021978, LS-83331, SMR000526281, TL8005974, EU-0034026, P-4160, 5-20-08-00232 (Beilstein Handbook Reference)

Molecular Formula:	C₁₄H₁₁N	Molecular Weight:	193.243840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: KLLLJCACIRKBDT-UHFFFAOYSA-N

• 2-Methyl Indole-3-Carboxaldehyde

IUPAC Name: 2-methyl-1H-indole-3-carbaldehyde | CAS Registry Number: 5416-80-8
Synonyms: 2-Methyl-3-formylindole, 3-Formyl-2-methylindole, 2-Methylindole-3-carboxaldehyde, 2-Methyl-1H-indole-3-carbaldehyde, 262439_ALDRICH, ARONIS016725, NSC11895, TOS-BB-0651, 1H-Indole-3-carboxaldehyde, 2-methyl-, CID73166, EINECS 226-512-6, Indole-3-carboxaldehyde, 2-methyl-, NSC 11895, SBB015331, ZINC00164956, Indole-3-carboxaldehyde, 2-methyl- (8CI), TL8003556, M-3999, InChI=1/C10H9NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-6,11H,1H

Molecular Formula:	C₁₀H₉NO	Molecular Weight:	159.184560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CYZIVXOEJNAIBS-UHFFFAOYSA-N

• 2,4-Dichloro-5-nitro-6-methylpyrimidine

IUPAC Name: 2,4-dichloro-6-methyl-5-nitropyrimidine | CAS Registry Number: 13162-26-0
Synonyms: NSC122005, CID275294, TL8000747

Molecular Formula:	C₅H₃Cl₂N₃O₂	Molecular Weight:	208.002220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: NBCOZXBHPKSFSA-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:	C₇H₆FNO₂	Molecular Weight:	155.126443 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: LGPVTNAJFDUWLF-UHFFFAOYSA-N

• 1-Methyl-2-Phenylindole-3-Carboxaldehyde (CAS: 17577-28-)

• 2,7-Dihydroxy Naphthalene

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

Molecular Formula:	C₁₀H₈O₂	Molecular Weight:	160.169320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: DFQICHCWIIJABH-UHFFFAOYSA-N

• 2-Methoxynaphthalene

IUPAC Name: 2-methoxynaphthalene | CAS Registry Number: 93-04-9
Synonyms: Yara yara, Yura yara, Nerolin, Yara-Yara, Nerolin (old), 2-METHOXYNAPHTHALENE, Naphthalene, 2-methoxy-, Methyl 2-naphthyl ether, Nerolin Yara Yara, 2-Naphthol methyl ether, 2-Naphthyl methyl ether, beta-Methoxynaphthalene, .beta.-Methoxynaphthalene, ARABINO GALACTAN, Ambap5819, beta-Naphthol mether ether, beta-Naphthol methyl ether, beta-Naphthyl methyl ether, Methyl beta-naphthyl ether, .beta.-Naphthol methyl ether

Molecular Formula:	C₁₁H₁₀O	Molecular Weight:	158.196500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: LUZDYPLAQQGJEA-UHFFFAOYSA-N

• 2-Methyl Chloro-Propionate

IUPAC Name: methyl (2R)-2-chloropropanoate | CAS Registry Number: 17639-93-9
Synonyms: Methyl 2-chloropropanoate, CCRIS 7388, Methyl (R)-2-chloropropionate, 277754_ALDRICH, EINECS 278-658-5, (R)-2-Chloropropanoic acid methyl ester, ZINC02017921, (R)-()-Methyl (R)-2-chloropropionate, Propanoic acid, 2-chloro-, methyl ester, LS-188775, (R)-()-2-Chloropropionic acid methyl ester, InChI=1/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H, 77287-29-7

Molecular Formula:	C₄H₇ClO₂	Molecular Weight:	122.550180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: JLEJCNOTNLZCHQ-GSVOUGTGSA-N

• 2-Methylsulphonyl-4,6-Dimethoxy Pyrimidine

IUPAC Name: 4,6-dimethoxy-2-methylsulfonylpyrimidine | CAS Registry Number: 113583-35-0
Synonyms: Maybridge1_008822, MLS000701367, 549878_ALDRICH, ZINC00365936, 4,6-dimethoxy-2-pyrimidinyl methyl sulfone, 4,6-Dimethoxy-2-methylsulfonylpyrimidine, SMR000229180, 4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine, ST5307490, AN-668/13681035, SR-01000641319-1

Molecular Formula:	C₇H₁₀N₂O₄S	Molecular Weight:	218.230300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: ITDVJJVNAASTRS-UHFFFAOYSA-N

• 4-Bromo-2-Fluoroaniline

IUPAC Name: 4-bromo-2-fluoroaniline | CAS Registry Number: 367-24-8
Synonyms: 4-Bromo-2-fluoroaniline, Benzenamine, 4-bromo-2-fluoro-, nchembio.2007.34-comp12, 304220_ALDRICH, ZINC00152960, EINECS 206-685-4, CID123050, B126, TL806376, ST5213767

Molecular Formula:	C₆H₅BrFN	Molecular Weight:	190.013003 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GZRMNMGWNKSANY-UHFFFAOYSA-N

• 5-Nitro-1.3-Benzene Dicarboxylic Acid

IUPAC Name: 5-nitrobenzene-1,3-dicarboxylic acid | CAS Registry Number: 618-88-2
Synonyms: 5-Nitroisophthalic acid, Isophthalic acid, 5-nitro-, 5-NITRO-M-PHTHALIC ACID, N18005_ALDRICH, 73450_FLUKA, 1,3-Benzenedicarboxylic acid, 5-nitro-, 1-Nitrobenzene-3,5-dicarboxylic acid, 5-Nitro-1,3-benzenedicarboxylic acid, AIDS019417, AIDS-019417, NSC66545, EINECS 210-568-3, Isophthalic acid, 5-nitro- (8CI), NSC 66545, 5-Nitrobenzene-1,3-dicarboxylic acid, SL-02131, TL8003971

Molecular Formula:	C₈H₅NO₆	Molecular Weight:	211.128400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: NBDAHKQJXVLAID-UHFFFAOYSA-N

• 2-Acetylthiazole

IUPAC Name: 1-(1,3-thiazol-2-yl)ethanone | CAS Registry Number: 24295-03-2
Synonyms: 1-thiazol-2-yl-ethanone, Ethanone, 1-(2-thiazolyl)-, W332801_ALDRICH, 288411_ALDRICH, 1-(1,3-Thiazol-2-yl)ethanone, ZINC00164484, 3,3'-DICARBOXYDIPHENYLMETHANE, NCGC00091718-01, SB 00889

Molecular Formula:	C₅H₅NOS	Molecular Weight:	127.164300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: MOMFXATYAINJML-UHFFFAOYSA-N

• 2-Amino-4,6-dimethylpyrimidine

IUPAC Name: 4,6-dimethylpyrimidin-2-amine | CAS Registry Number: 767-15-7
Synonyms: Acetylacetoneguanidine, 4,6-Dimethyl-2-pyrimidinamine, 2-Pyrimidinamine, 4,6-dimethyl-, 2-AMINO-4,6-DIMETHYLPYRIMIDINE, 4,6-Dimethylpyrimidin-2-ylamine, Pyrimidine, 2-amino-4,6-dimethyl-, A52005_ALDRICH, ACETYLACETONE GUANIDINE, NSC 3278, 07850_FLUKA, EINECS 212-181-5, NSC3278, AIDS020788, AIDS-020788, SBB004275, ZINC00163774, AI3-08092, LS-134481, TL8005260, Pyrimidine, 2-amino-4,6-dimethyl- (8CI)

Molecular Formula:	C₆H₉N₃	Molecular Weight:	123.155760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: IDQNBVFPZMCDDN-UHFFFAOYSA-N

• 2-Ethyl-4-Methylthiazole

IUPAC Name: 2-ethyl-4-methyl-1,3-thiazole | CAS Registry Number: 15679-12-6
Synonyms: Thiazole, 2-ethyl-4-methyl-, 2-ETHYL-4-METHYLTHIAZOLE, W368008_ALDRICH, FEMA No. 3680, EINECS 239-757-9, ZINC00396075, InChI=1/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H

Molecular Formula:	C₆H₉NS	Molecular Weight:	127.207360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: VGRVKVGGUPOCMT-UHFFFAOYSA-N