Shanghai Apichemical Co., Ltd.

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Profile: Shanghai Apichemical Co., Ltd. specializes in the design, synthesis, sales and outsourcing of organic compounds for the pharmaceutical, drug discovery, agrochemical & biotechnology industries. Our product line includes C-cyclopentyl-methylamine hydrochloride, 2-aminomethyl-pyrrolidine-1-carboxylic acid benzyl ester hydrochloride, 4-aminomethyl-piperidine-1-carboxylic acid benzyl ester hydrochloride, 2-aminomethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester, 2-aminomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester and (R)-2-aminomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester.

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• Quinoline, 1,2,3,4-Tetrahydro-1-(2-Methylpropyl)-7-Nitro-

IUPAC Name: 1-(2-methylpropyl)-7-nitro-3,4-dihydro-2H-quinoline | CAS Registry Number: 959235-79-1
Synonyms: 1-Isobutyl-7-nitro-1,2,3,4-tetrahydroquinoline, CTK8B7933, MolPort-004-805-570, ANW-58984, SBB068453, ZINC26893989, AKOS015915233, AK-51659, KB-159917, FT-0657339, 1-isobutyl-7-nitro-3,4-dihydro-2H-quinoline, A845499, I14-6913, 1-(2-methylpropyl)-7-nitro-3,4-dihydro-2H-quinoline

Molecular Formula:	C₁₃H₁₈N₂O₂	Molecular Weight:	234.294220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: PPMVNPPYRKIWTP-UHFFFAOYSA-N

• Rhodium

IUPAC Name: rhodium | CAS Registry Number: 7440-16-6
Synonyms: RHODIUM, Rhodium fume, rodio, Rhodium, metal, Rhodium black, Rhodium, elemental, Rhodium on carbon, Rhodium on alumina, Rhodium, soluble compounds, Rhodium standard for AAS, 45Rh, Rhodium on activated charcoal, HSDB 2534, Rhodium(III) nitrate solution, 204218_ALDRICH, 206164_ALDRICH, 206172_ALDRICH, 207411_ALDRICH, 212857_ALDRICH, 267368_ALDRICH

Molecular Formula:	Rh	Molecular Weight:	102.905500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: MHOVAHRLVXNVSD-UHFFFAOYSA-N

• Tazarotene

IUPAC Name: ethyl 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate | CAS Registry Number: 118292-40-3
Synonyms: tazarotene, Tazorac, Zorac, Avage, Suretin, Tazoral, Avage (TN), Tazarotene [USAN:INN], Tazarotene (JAN/USAN/INN), C21H21NO2S, AGN 190168, AGN-190168, CHEBI:32184, DB00799, NCGC00167525-01, LS-130838, C12531, D01132, C086827, Ethyl 6-((4,4-dimethylthiochroman-6-yl)ethynyl)nicotinate

Molecular Formula:	C₂₁H₂₁NO₂S	Molecular Weight:	351.461940 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: OGQICQVSFDPSEI-UHFFFAOYSA-N

• tert-Butyl 3-(hydroxymethyl)tetrahydro-1(2H)-pyridinecarboxylate

IUPAC Name: tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate | CAS Registry Number: 116574-71-1
Synonyms: N-Boc-piperidine-3-methanol, 681318_ALDRICH, ARONIS011468, 1-Boc-3-(hyroxymethyl)piperidine, N-Boc-3-(hydroxymethyl)piperidine, ZINC01436288, CID2763851, TL8000478, C-3118, 3X-0724

Molecular Formula:	C₁₁H₂₁NO₃	Molecular Weight:	215.289340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: OJCLHERKFHHUTB-UHFFFAOYSA-N

• trans-4-Hydroxy-L-Proline methyl ester HCl

IUPAC Name: methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloride | CAS Registry Number: 40216-83-9
Synonyms: 30681_FLUKA, SBB003740, L-4-Hydroxyproline methyl ester hydrochloride, F-1210, trans-4-Hydroxy-L-proline methyl ester hydrochloride

Molecular Formula:	C₆H₁₂ClNO₃	Molecular Weight:	181.617380 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: KLGSHNXEUZOKHH-JBUOLDKXSA-N

• 4-Bromopyridine Hcl

IUPAC Name: 4-bromopyridine hydrochloride | CAS Registry Number: 19524-06-2
Synonyms: 4-Bromopyridine hydrochloride, 4-Bromopyridinium chloride, 4-BROMOPYRIDINE HCl, B80429_ALDRICH, EINECS 243-128-4, SBB003600, B2747G5, TL80073592

Molecular Formula:	C₅H₅BrClN	Molecular Weight:	194.456900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: MPZMVUQGXAOJIK-UHFFFAOYSA-N

• (1S,4S)-(+)-2-Benzyl-2,5-Diazabicyclo[2.2.1]heptane Dihydrobromide

IUPAC Name: (1S,4S)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane;dihydrobromide | CAS Registry Number: 116258-17-4
Synonyms: (1S,4S)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane Dihydrobromide, (1S,4S)-(+)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane dihydrobromide, (1S,4S)-2-Benzyl-2,5-diazabicyclo(2.2.1)heptane dihydrobromide, PubChem16298, SureCN1363188, AC1Q23A0, CTK8A9314, MolPort-016-636-314, ACN-S002118, ANW-16955, AKOS015909339, AK-68283, BR-68283, KB-00826, B2054, FT-0083981, X9162, EN300-70015, I14-3316, (1S,4S)-2-Benzyl-2,5-diazabicyclo-(2 .2.1)heptane dihydrobromide

Molecular Formula:	C₁₂H₁₈Br₂N₂	Molecular Weight:	350.092720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: SOMPEQIPSQFVMO-AQEKLAMFSA-N

• 4-Hydroxypiperidine

IUPAC Name: piperidin-4-ol | CAS Registry Number: 5382-16-1
Synonyms: 4-Piperidinol, Piperidin-4-ol, 128775_ALDRICH, NSC62083, 56220_FLUKA, BB_SC-2766, CID79341, EINECS 226-373-1, NSC 62083, TL806407, AI3-39158

Molecular Formula:	C₅H₁₁NO	Molecular Weight:	101.146940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: HDOWRFHMPULYOA-UHFFFAOYSA-N

• 2-Chloro-5-Nitroanisole

IUPAC Name: 1-chloro-2-methoxy-4-nitrobenzene | CAS Registry Number: 1009-36-5
Synonyms: 2-Chloro-5-nitroanisole, 2-Methoxy-4-nitrochlorobenzene, 4-Chloro-3-methoxynitrobenzene, ZINC02004522, CID70519, EINECS 213-768-9, Benzene, 1-chloro-2-methoxy-4-nitro-, TL800742058

Molecular Formula:	C₇H₆ClNO₃	Molecular Weight:	187.580440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: JXIJUAWSDBACEB-UHFFFAOYSA-N

• 4-Cyano-3,5-difluorophenol

IUPAC Name: 2,6-difluoro-4-hydroxybenzonitrile | CAS Registry Number: 123843-57-2
Synonyms: 2,6-Difluoro-4-hydroxybenzonitrile, 4-hydroxy-2,6-difluorobenzonitrile, 3,5-difluoro-4-cyanophenol, 2,6-Difluoro-4-hydroxy benzonitrile, Benzonitrile, 2,6-difluoro-4-hydroxy-, 2,6-difluoro-4-hydroxybenzenecarbonitrile, SBB063847, AG-D-51079, ZINC02243358, PubChem5196, SureCN81244, ACMC-1BZ2H, AC1MCU11, 3.5-Difluoro-4-cyanophenol, KSC495C8F, Jsp001591, CTK3J5182, MolPort-000-150-717, ACT12409, 2,6-difluoro-4-hydroxy-benzonitrile

Molecular Formula:	C₇H₃F₂NO	Molecular Weight:	155.101626 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: KEIYYIGMDPTAPL-UHFFFAOYSA-N

• 2-Phenoxybenzaldehyde

IUPAC Name: 2-(phenoxy)benzaldehyde | CAS Registry Number: 19434-34-5
Synonyms: o-Phenoxybenzaldehyde, 2-phenoxybenzenecarbaldehyde, MLS000326714, CID88060, EINECS 243-061-0, ZINC00167427, SMR000179267, ST5340272

Molecular Formula:	C₁₃H₁₀O₂	Molecular Weight:	198.217300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: IMPIIVKYTNMBCD-UHFFFAOYSA-N

• 4-Bromo-3,5-difluoroaniline

IUPAC Name: 2-bromo-1,3-difluoro-5-methoxybenzene | CAS Registry Number: 202865-61-0
Synonyms: ZINC02512506, CID2724984, ST5408584

Molecular Formula:	C₇H₅BrF₂O	Molecular Weight:	223.014806 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: GEJMNTXYFBBTFH-UHFFFAOYSA-N

• 2-Bromo-6-(hydroxymethyl)pyridine

IUPAC Name: (6-bromopyridin-2-yl)methanol | CAS Registry Number: 33674-96-3
Synonyms: 6-Bromo-2-pyridinemethanol, 554146_ALDRICH, (6-Bromo-pyridin-2-yl)methanol, (6-Bromo-Pyridin-2-yl)-Methanol, TL8002537

Molecular Formula:	C₆H₆BrNO	Molecular Weight:	188.021940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XDDGKNRSCDEWBR-UHFFFAOYSA-N

• 2-Morpholinobenzaldehyde

IUPAC Name: 2-morpholin-4-ylbenzaldehyde | CAS Registry Number: 58028-76-5
Synonyms: ZINC00165684, AA-0711, CID2737010

Molecular Formula:	C₁₁H₁₃NO₂	Molecular Weight:	191.226420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: GTTAEWVBVHSDLX-UHFFFAOYSA-N

• 3-Hydroxypiperidine hydrochloride

IUPAC Name: (3S)-piperidin-3-ol hydrochloride | CAS Registry Number: 64051-79-2
Synonyms: 3-HYDROXYPIPERIDINE HCl, (S)-3-Piperidinol hydrochloride, 30169_FLUKA, (S)-3-Hydroxypiperidine hydrochloride, TL8003229

Molecular Formula:	C₅H₁₂ClNO	Molecular Weight:	137.607880 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	2

InChIKey: VLECDMDGMKPUSK-JEDNCBNOSA-N

• 5-Bromo-1-tetralone

IUPAC Name: 5-bromo-3,4-dihydro-2H-naphthalen-1-one | CAS Registry Number: 68449-30-9
Synonyms: 5-bromo-3,4-dihydronaphthalen-1(2H)-one, 5-BROMOTETRALONE, 5-bromo-3,4-dihydro-2H-naphthalen-1-one, SBB066973, AG-G-63361, 5-bromo-2,3,4-trihydronaphthalen-1-one, 5-bromo-3,4-dihydro-1(2H)-naphthalenone, 1(2H)-Naphthalenone, 5-bromo-3,4-dihydro-, PubChem13792, SureCN1661783, 5-BROMO-TETRAL-1-ONE, CTK5C8027, MolPort-001-758-972, ACT03092, ANW-47428, WTI-11124, ZINC15021492, AKOS005254972, AB11083, RP05357

Molecular Formula:	C₁₀H₉BrO	Molecular Weight:	225.081860 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: DMXOUYZZHVHEQR-UHFFFAOYSA-N

• 2-Fluoroadenine

IUPAC Name: 2-fluoro-7H-purin-6-amine | CAS Registry Number: 700-49-2
Synonyms: 2-Fad, 2-Fluoro-6-aminopurine, ADENINE, 2-FLUORO-, Purine, 6-amino-2-fluoro-, 9H-Adenine, 2-fluoro-, 2-Fluoro-1H-purin-6-amine, SRI 774, 1H-Purin-6-amine, 2-fluoro-, Adenine, 2-fluoro- (VAN), 535087_ALDRICH, NSC 27364, 2-Fluoro-7(9)H-purin-6-ylamine, NSC27364, BRN 0610958, ZINC01641355, Adenine, 2-fluoro- (VAN) (8CI), LS-1599, 1H-Purin-6-amine, 2-fluoro- (9CI), ST5298902, TL8004934

Molecular Formula:	C₅H₄FN₅	Molecular Weight:	153.117163 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: WKMPTBDYDNUJLF-UHFFFAOYSA-N

• 1-Isopropyl-3-(4-fluorophenyl)indole

IUPAC Name: 3-(4-fluorophenyl)-1-propan-2-ylindole | CAS Registry Number: 93957-49-4
Synonyms: 3-(4-fluorophenyl)-1-isopropyl-1h-indole, 1-ISOPROPYL-3-(4-FLUOROPHENYL)INDOLE, 3-(4-Fluorophenyl)-1-isopropylindole, AG-H-85440, 1-Isopropyl-3-(4-flrorophenyl)-indole, 3-(4-fluorophenyl)-1-propan-2-ylindole, ST50408249, 3-(4-fluorophenyl)-1-(methylethyl)indole, 3-(4-fluorophenyl)-1-propan-2-yl-indole, ZINC00156443, PubChem7300, AC1LEHNF, ACMC-209rob, AC1Q4OIC, SureCN1878132, CTK5H4173, MolPort-001-775-669, ACN-S003329, ANW-40137, AR-1E6936

Molecular Formula:	C₁₇H₁₆FN	Molecular Weight:	253.314043 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ZDZJOIIBECYKAJ-UHFFFAOYSA-N

• 2-Acetyl-3-amino-5-phenylthiophene

IUPAC Name: 1-(3-amino-5-phenylthiophen-2-yl)ethanone | CAS Registry Number: 105707-24-2
Synonyms: MLS000851474, ZINC00081851, CID2807849, SMR000457917, ST5407185, 1-(3-amino-5-phenyl-2-thienyl)ethan-1-one, SR-01000636516-1

Molecular Formula:	C₁₂H₁₁NOS	Molecular Weight:	217.286840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: QAHOJPMILKVSAA-UHFFFAOYSA-N

• 2,4,5-Trichloropyrimidine

IUPAC Name: 2,4,5-trichloropyrimidine | CAS Registry Number: 5750-76-5
Synonyms: Pyrimidine, 2,4,5-trichloro-, 652032_ALDRICH, NSC40593, AIDS124615, AIDS-124615, NSC 40593, ZINC01672144, NCI60_003837, TL8003699

Molecular Formula:	C₄HCl₃N₂	Molecular Weight:	183.423140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: GIKMWFAAEIACRF-UHFFFAOYSA-N

• 4-Bromo-2-methyl-6-nitro-phenylamine

IUPAC Name: 4-bromo-2-methyl-6-nitroaniline | CAS Registry Number: 77811-44-0
Synonyms: 4-Bromo-2-methyl-6-nitroaniline, 655988_ALDRICH, ZINC03884500, CID522679, ST5307884, TL8005335, D1264

Molecular Formula:	C₇H₇BrN₂O₂	Molecular Weight:	231.046680 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ZXFVKFUXKFPUQJ-UHFFFAOYSA-N

• 5-Chloro-6-Hydroxynicotinic Acid

IUPAC Name: 5-chloro-6-oxo-1H-pyridine-3-carboxylate | CAS Registry Number: 54127-63-8
Synonyms: ZINC00155317, CID6931276

Molecular Formula:	C₆H₃ClNO₃-	Molecular Weight:	172.545920 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: OLTRUTPHSBQWAZ-UHFFFAOYSA-M

• 5-Phenyl-2-Thiophenecarboxylic Acid

IUPAC Name: 5-phenylthiophene-2-carboxylate | CAS Registry Number: 19163-24-7
Synonyms: ZINC00158686, CID6932041

Molecular Formula:	C₁₁H₇O₂S-	Molecular Weight:	203.237080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: QGMFBCDNJUZQBZ-UHFFFAOYSA-M

• 2-Chloro-3-iodopyridine

IUPAC Name: 2-chloro-3-iodopyridine | CAS Registry Number: 78607-36-0
Synonyms: 2-chloro-3-iodopyridine, 2-Chloro-3-iodo-pyridine, ZERO/006257, ZINC02566951, AJ-333/25006075

Molecular Formula:	C₅H₃ClIN	Molecular Weight:	239.441490 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: OHWSWGXNZDSHLM-UHFFFAOYSA-N

• 2-Methoxy-6-methylaminopyridine

IUPAC Name: 6-methoxy-N-methylpyridin-2-amine | CAS Registry Number: 88569-83-9
Synonyms: Ambap2289, 2-Methoxy-6-(methylamino)pyridine, M131, TL806337

Molecular Formula:	C₇H₁₀N₂O	Molecular Weight:	138.167100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: GXHQLRBOZRJHPZ-UHFFFAOYSA-N

• 2-Chloro-5-methylaniline

IUPAC Name: 2-chloro-5-methylaniline | CAS Registry Number: 95-81-8
Synonyms: 6-Chloro-m-toluidine, Ambap180, Benzenamine, 2-chloro-5-methyl-, CCRIS 2888, 3-AMINO-4-CHLOROTOLUENE, 225118_SIAL, EINECS 202-454-7, ZINC00407045, InChI=1/C7H8ClN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H

Molecular Formula:	C₇H₈ClN	Molecular Weight:	141.598120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: HPSCXFOQUFPEPE-UHFFFAOYSA-N

• 4-Bromo-1,2-epoxybutane

IUPAC Name: 2-(2-bromoethyl)oxirane | CAS Registry Number: 13287-42-8
Synonyms: (2-Bromoethyl)ocirane, 2-(2-Bromoethyl)oxirane, 1,2-Epoxy-4-bromobutane, Ocirane, (2-bromoethyl)-, Oxirane, (2-bromoethyl)-, NSC295369

Molecular Formula:	C₄H₇BrO	Molecular Weight:	151.001780 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ZKODPGZNBMIZFX-UHFFFAOYSA-N

• 4-Fluorophenylboronic Acid

IUPAC Name: (4-fluorophenyl)boronic acid | CAS Registry Number: 1765-93-1
Synonyms: 4-Fluorophenylboronic acid, 4-Fluorobenzeneboronic acid, Phenylboronic Acid, 7, p-fluorophenylboronic acid, (4-fluorophenyl)boronic acid, p-fluorobenzeneboronic acid, (4-fluorophenyl)boranediol, (4-fluorophenyl)dihydroxyborane, 417556_ALDRICH, CHEBI:48661, BM034, ALBB-006109, NSC142683, AC 33410, TL8001403

Molecular Formula:	C₆H₆BFO₂	Molecular Weight:	139.920043 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: LBUNNMJLXWQQBY-UHFFFAOYSA-N

• 2,4,5-Trifluorophenylacetic acid

IUPAC Name: 2-(2,4,5-trifluorophenyl)acetic acid | CAS Registry Number: 209995-38-0
Synonyms: 684155_ALDRICH, JRD-0716, TL8001736

Molecular Formula:	C₈H₅F₃O₂	Molecular Weight:	190.119310 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: YSQLGGQUQDTBSL-UHFFFAOYSA-N

• (6-trifluoromethyl-pyridin-3-yl)-methanol

IUPAC Name: [6-(trifluoromethyl)pyridin-3-yl]methanol | CAS Registry Number: 386704-04-7
Synonyms: 6-(Trifluoromethyl)pyridine-3-methanol, [6-(Trifluoromethyl)-3-pyridyl]methanol, 3-hydroxymethyl-6-trifluoromethylpyridine, (6-(trifluoromethyl)pyridin-3-yl)methanol, [6-(trifluoromethyl)pyridin-3-yl]methanol, 6-trifluoromethyl-3-pyridinemethanol, SBB054790, 2-(trifluoromethyl)pyridine-5-methanol, (6-(trifluoromethyl)pyridin-3-y1)methanol, ZINC00154408, PubChem16964, ACMC-1AETO, AC1MU7CQ, SureCN132198, 640050_ALDRICH, Jsp006755, CTK4D4719, MolPort-000-159-138, 6-trifluoromethyl-3-pyridylmethanol, ACN-S003403

Molecular Formula:	C₇H₆F₃NO	Molecular Weight:	177.123850 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: CBSXUFWMVOAHTK-UHFFFAOYSA-N

• (S)-1-tert-Butoxycarbonylpyrrolidine-3-methanol

IUPAC Name: tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate | CAS Registry Number: 199174-24-8
Synonyms: (S)-1-Boc-3-Hydroxymethyl-pyrrolidine, (S)-tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate, (S)-1-Boc-(3-Hydroxymethyl)pyrrolidine, (S)-3-Hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester, AG-E-45629, (S)-1-Boc-3-(hydroxymethyl)pyrrolidine, tert-butyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate, 1-BOC-(S)-(3-HYDROXYMETHYL)PYRROLIDINE, AC1LTTCI, PubChem23407, SureCN515486, N-BOC-L-BETA-PROLINOL, CTK4E2728, MolPort-000-004-262, RW1013, WTI-10376, ZINC01436151, (S)-1-Boc-3-hydroxymethylpyrrolidine, AKOS015841269, AKOS015897921

Molecular Formula:	C₁₀H₁₉NO₃	Molecular Weight:	201.262760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: HKIGXXRMJFUUKV-QMMMGPOBSA-N

• (2-Fluoro-5-carboxyphenyl)boronic acid

IUPAC Name: 3-borono-4-fluorobenzoic acid | CAS Registry Number: 874219-59-7
Synonyms: 5-Carboxy-2-fluorophenylboronic acid, 3-borono-4-fluorobenzoic acid, SBB065911, 3-(dihydroxyboranyl)-4-fluorobenzoic acid, ACMC-209qlj, SureCN4037801, CTK5F8381, MolPort-001-775-292, 5-Carboxy-2-fluorophenylboronicacid, ACT11141, ANW-38741, 5-Carboxy-2-fluorophenylboronic acid,, AKOS006346501, AB44936, AG-H-52753, RL05437, AK-40452, AK-54279, Benzoic acid,3-borono-4-fluoro- (9CI), KB-42610

Molecular Formula:	C₇H₆BFO₄	Molecular Weight:	183.929543 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: YLZPFWJYAFZZHF-UHFFFAOYSA-N

• 1H-Pyrazole-4-methanamine,1-methyl-

IUPAC Name: (1-methylpyrazol-4-yl)methanamine | CAS Registry Number: 400877-05-6
Synonyms: (1-methyl-1H-pyrazol-4-yl)methanamine, 4-Aminomethyl-1-methylpyrazole, (1-methyl-1H-pyrazol-4-yl)methylamine, C-(1-Methyl-1H-pyrazol-4-yl)-methylamine, 1-(1-methyl-1H-pyrazol-4-yl)methanamine, (1-methylpyrazol-4-yl)methanamine, (1-methylpyrazol-4-yl)methylamine, AC1LDOOZ, SureCN243921, AC1Q3YU8, CTK1D5549, MolPort-000-886-127, BB_SC-3708, ALBB-000007, ANW-61690, BBL016044, SBB000039, STK312971, 1h-pyrazole-4-methanamine,1-methyl-, AKOS000188667

Molecular Formula:	C₅H₉N₃	Molecular Weight:	111.145060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: KFTRXTSNTQSGNE-UHFFFAOYSA-N

• 2-(4-Aminophenoxy)acetic Acid

IUPAC Name: 2-(4-aminophenoxy)acetic acid | CAS Registry Number: 2298-36-4
Synonyms: (4-Aminophenoxy)acetic acid, ChemDiv2_003232, (p-Aminophenoxy)acetic acid, Oprea1_812941, Acetic acid, (4-aminophenoxy)-, Acetic acid, (p-aminophenoxy)-, NIOSH/AF3520000, ZERO/001282, ALBB-008749, CID95797, NSC36983, EINECS 218-947-5, STK500580, LS-10980, AF3520000, M B 2754

Molecular Formula:	C₈H₉NO₃	Molecular Weight:	167.161960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: GIFGMEWQGDEWKB-UHFFFAOYSA-N

• (r )-1-benzyl-3-aminopiperidine

IUPAC Name: (3R)-1-(phenylmethyl)piperidin-3-amine | CAS Registry Number: 168466-84-0
Synonyms: 1-Benzyl-3-aminopiperidine, (R)-1-Benzyl-3-Aminopiperidine, CID854130, NSC137967, C-3101R, TL8001303

Molecular Formula:	C₁₂H₁₈N₂	Molecular Weight:	190.284720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: HARWNWOLWMTQCC-GFCCVEGCSA-N

• 4-formyl-piperidine-1-carboxylic Acid Benzyl Ester

IUPAC Name: benzyl 4-formylpiperidine-1-carboxylate | CAS Registry Number: 138163-08-3
Synonyms: 4-Formyl-N-Cbz-piperidine, 1-Cbz-4-Piperidine Carboxaldehyde, benzyl 4-formylpiperidine-1-carboxylate, n-cbz-piperidine-4-carbaldehyde, benzyl 4-formyltetrahydro-1(2h)-pyridinecarboxylate, n-cbz-4-formylpiperidine, 1-n-cbz-4-formylpiperidine, 1-Cbz-4-Piperidinecarboxaldehyde, 1-(Benzyloxycarbonyl)-4-piperidinecarboxaldehyde, 4-formyl-piperidine-1-carboxylic acid benzyl ester, SBB052334, AG-D-77269, N-CBZ-PIPERIDINE-4-CARBOXALDEHYDE, phenylmethyl 4-formylpiperidinecarboxylate, piperidine-4-carboxaldehyde, n-cbz protected, ZINC00158639, AC1MCQUF, PubChem14070, ACMC-20a0xz, KSC495E0F

Molecular Formula:	C₁₄H₁₇NO₃	Molecular Weight:	247.289680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ZJQMLJFHCKTCSF-UHFFFAOYSA-N

• 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one

IUPAC Name: (E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one | CAS Registry Number: 17129-06-5
Synonyms: 4-ethoxy-1,1,1-trifluorobut-3-en-2-one, (E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one, (3E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one, 2-Ethoxyvinyl trifluoromethyl ketone, ETFBO, ST075442, 3-BUTEN-2-ONE, 4-ETHOXY-1,1,1-TRIFLUORO-, 59938-06-6, 4-ethoxy, AG-E-20665, ZINC02557016, AC1NWOEQ, PubChem20219, HmTDpJDIAICICHiCLdjifhDM@, 407771_ALDRICH, MolPort-000-892-064, FD2031, GEO-01308, SBB015071, STK400141

Molecular Formula:	C₆H₇F₃O₂	Molecular Weight:	168.113790 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: YKYIFUROKBDHCY-ONEGZZNKSA-N

• 2-Amino-5-Bromobenzothiazole

IUPAC Name: 5-bromo-1,3-benzothiazol-2-amine | CAS Registry Number: 20358-03-6
Synonyms: 2-Amino-5-bromobenzothiazole, 5-Bromo-benzothiazol-2-ylamine, 5-bromobenzo[d]thiazol-2-amine, 5-bromo-1,3-benzothiazol-2-amine, 5-BROMO-2-BENZOTHIAZOLAMINE, SBB070596, 2-BENZOTHIAZOLAMINE, 5-BROMO-, AG-E-49208, PubChem21702, ACMC-209f9a, AGN-PC-00NXT3, 5-bromobenzothiazole-2-ylamine, 647683_ALDRICH, Jsp004161, CTK3J0797, MolPort-005-934-238, ANW-24044, ZINC12959084, AKOS000111692, AC-5988

Molecular Formula:	C₇H₅BrN₂S	Molecular Weight:	229.097000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ZPUJTWBWSOOMRP-UHFFFAOYSA-N

• 5-Hydroxy-2-pyrazinecarboxylic acid

IUPAC Name: 6-oxo-1H-pyrazine-3-carboxylic acid | CAS Registry Number: 34604-60-9
Synonyms: 5-Hydroxypyrazinoic acid, 56350_FLUKA, 5-hydroxypyrazine-2-carboxylic acid, ALBB-005446, Pyrazinecarboxylic acid, 4,5-dihydro-5-oxo-

Molecular Formula:	C₅H₄N₂O₃	Molecular Weight:	140.096860 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: CGQFCIHUUCMACC-UHFFFAOYSA-N

• 2-Vinylhexafluoroisopropanol

IUPAC Name: 1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol | CAS Registry Number: 19701-19-0
Synonyms: 1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol, zlchem 1286, AC1MXBVF, SCHEMBL649043, ZLE0061, MolPort-003-990-961, VUSMHPJJFLCUOR-UHFFFAOYSA-N, CV-053, PC3737, SBB091676, ZINC02525297, AKOS005063542, GS-0001, RP25292, KB-26276, K-5774, 1,1,1-trifluoro-2-trifluoromethyl-3-buten-2-ol, 1,1,1-Trifluoro-2-(trifluoromethyl)-3-buten-2-ol, 1,1,1-trifluoro-2-trifluoromethyl-but-3-en-2-ol, 3S107423

Molecular Formula:	C₅H₄F₆O	Molecular Weight:	194.075079 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: VUSMHPJJFLCUOR-UHFFFAOYSA-N

• 1(4H)-Naphthalenone, 2-(1,1-dimethylethyl)-4-[3-(1,1-dimethylethyl)-4-oxo-1(4H)-naphthalenylidene]-

IUPAC Name: 2-tert-butyl-4-(3-tert-butyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one | CAS Registry Number: 148808-97-3
Synonyms: 3,3'-Di-tert-butyl-4H,4'H-[1,1'-binaphthalenylidene]-4,4'-dione, CTK8C4762, ANW-73023, KB-233913, 2-(TERT-BUTYL)-4-[3-(TERT-BUTYL)-4-OXO-1(4H)-NAPHTHALENYLIDENE]-1(4H)-NAPHTHALENONE

Molecular Formula:	C₂₈H₂₈O₂	Molecular Weight:	396.520720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: YTCVAKHNDNQNSA-UHFFFAOYSA-N

• (5-Methyl-3-isoxazolyl)methylamine

IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methanamine | CAS Registry Number: 154016-48-5
Synonyms: (5-Methylisoxazol-3-yl)methylamine, (5-methyl-1,2-oxazol-3-yl)methanamine, 3-Isoxazolemethanamine,5-methyl-, SBB018900, 1-(5-methylisoxazol-3-yl)methanamine, AG-E-01821, 3-(AMINOMETHYL)-5-METHYLISOXAZOLE, AC1MCQVD, ACMC-20a4az, AC1Q2INU, SureCN56595, CTK4C8069, MolPort-000-142-403, (5-methyl-3-isoxazolyl)methanamine, (5-methylisoxazol-3-yl)methanamine, ALBB-000275, ANW-56505, GEO-01864, STK417958, WTI-11707

Molecular Formula:	C₅H₈N₂O	Molecular Weight:	112.129820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: AZVWIMLQRLKLHH-UHFFFAOYSA-N

• 2,3-difluorobenzaldehyde

IUPAC Name: 2,3-difluorobenzaldehyde | CAS Registry Number: 2646-91-5
Synonyms: 2,3-Difluorobenzaldehyde, 265144_ALDRICH, ZINC02539336, JRD-0425, CID137664, SBB006572, TL8002115

Molecular Formula:	C₇H₄F₂O	Molecular Weight:	142.102866 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: WDBAXYQUOZDFOJ-UHFFFAOYSA-N

• 1-Boc-3-pyrrolidinone

IUPAC Name: tert-butyl 3-oxopyrrolidine-1-carboxylate | CAS Registry Number: 101385-93-7
Synonyms: N-Boc-3-pyrrolidinone, N-Boc-3-pyrrolidinol, 637564_ALDRICH, AIDS071255, AIDS-071255, ZINC04202590, tert-Butyl 3-oxopyrrolidinecarboxylate, N-(tert-Butoxycarbonyl)-3-pyrrolidinone, TL806112

Molecular Formula:	C₉H₁₅NO₃	Molecular Weight:	185.220300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: JSOMVCDXPUXKIC-UHFFFAOYSA-N

• 5-Fluoroisatin

IUPAC Name: 5-fluoro-1H-indole-2,3-dione | CAS Registry Number: 443-69-6
Synonyms: Isatin-based compound, 32, 5-Fluoro-1H-indole-2,3-dione, 366978_ALDRICH, ZERO/000347, AIDS163137, AIDS-163137, ALBB-002980, NSC39161, ZINC01671161, TL8003090, F-5600

Molecular Formula:	C₈H₄FNO₂	Molecular Weight:	165.121263 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: GKODDAXOSGGARJ-UHFFFAOYSA-N

• 3-Acetylbenzonitrile

IUPAC Name: 3-acetylbenzonitrile | CAS Registry Number: 6136-68-1
Synonyms: m-Cyanoacetophenone, 3'-Cyanoacetophenone, 292214_ALDRICH, EINECS 228-110-6, NSC210360, ZINC01745805, InChI=1/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H

Molecular Formula:	C₉H₇NO	Molecular Weight:	145.157980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: SBCFGFDAZCTSRH-UHFFFAOYSA-N

• 3-Bromobenzenesulphonyl chloride

IUPAC Name: 3-bromobenzenesulfonyl chloride | CAS Registry Number: 2905-24-0
Synonyms: 3-Bromobenzenesulfonyl chloride, 545716_ALDRICH, M-BROMOBENZENESULPHONYL CHLORIDE, CID17943, TL 00352

Molecular Formula:	C₆H₄BrClO₂S	Molecular Weight:	255.516760 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: PJGOLCXVWIYXRQ-UHFFFAOYSA-N

• 2,6-Piperidinedione, 3-(1,3-dihydro-4-nitro-1-oxo-2H-isoindol-2-yl)-

IUPAC Name: 3-(7-nitro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione | CAS Registry Number: 827026-45-9
Synonyms: 3-(4-Nitro-1-oxoisoindolin-2-yl)piperidin-2,6-dione, AG-H-30852, 3-(4-Nitro-1-oxo-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione, 3-(4-nitro-1-oxoisoindolin-2-yl)piperidine-2,6-dione, PubChem19172, SureCN33677, AGN-PC-009S6E, CHEMBL197063, CTK5E9959, 3-(7-nitro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione, ALBB-015320, ANW-67747, SBB067455, AKOS005174868, AKOS015912365, AC-5511, AK-82225, KB-69874, AM20090671, FT-0658593

Molecular Formula:	C₁₃H₁₁N₃O₅	Molecular Weight:	289.243540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: JKPJLYIGKKDZDT-UHFFFAOYSA-N

• 2-Indanylacetic acid

IUPAC Name: 2-(2,3-dihydro-1H-inden-2-yl)acetic acid | CAS Registry Number: 37868-26-1
Synonyms: 2-(2,3-dihydro-1H-inden-2-yl)acetic Acid, 2,3-dihydro-1H-inden-2-ylacetic acid, ST50408081, Indan-2-ylacetic acid, PubChem16311, AC1NQG0G, 2-indan-2-ylacetic acid, SureCN1340255, INDAN-2-YL-ACETIC ACID, CTK1C0742, MolPort-001-794-397, AC1Q7536, ANW-65609, AKOS009158243, AB03118, MCULE-9878010081, 1H-Indene-2-aceticacid, 2,3-dihydro-, AK-90079, KB-13796, FT-0612648

Molecular Formula:	C₁₁H₁₂O₂	Molecular Weight:	176.211780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: TULDPXYHBFBRGW-UHFFFAOYSA-N

• (R)-1-tert-Butoxycarbonylpyrrolidine-3-methanol

IUPAC Name: tert-butyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate | CAS Registry Number: 138108-72-2
Synonyms: (R)-1-Boc-3-Hydroxymethylpyrrolidine, (R)-tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate, (R)-1-Boc-3-(hydroxymethyl)pyrrolidine, (R)-3-Hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester, 1-Boc-3-hydroxymethyl-pyrrolidine, AG-D-77142, (R)-1-Boc-3-hydroxymethyl-pyrrolidine, tert-butyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate, (R)-3-Hydroxymethylpyrrolidine-1-carboxylic acid tert-butyl ester, 1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester, (3R)-, AC1LTTCF, PubChem11122, SureCN514696, N-BOC-D-BETA-PROLINOL, Jsp002288, CTK4C1089, MolPort-000-004-261, WT968, ACT08452, AC-867

Molecular Formula:	C₁₀H₁₉NO₃	Molecular Weight:	201.262760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: HKIGXXRMJFUUKV-MRVPVSSYSA-N