Keyuan Chemical Co., Ltd.

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Profile: Keyuan Chemical Co., Ltd. specializes in pharmaceuticals, pigments and fine chemical intermediates. Our product includes DL-mandelic acid, D-mandelic acid, L-mandelic and P-fluoro mandelic acid. We are an ISO 9001:2000 certified company. Our products include 2,4-difluoro mandelic acid, P-chloro mandelic acid and 2-chloro mandelic acid.

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• Alpha Hydroxy Phenyl Acetic Acid

IUPAC Name: 2-hydroxy-2-phenylacetic acid | CAS Registry Number: 90-64-2
Synonyms: MANDELIC ACID, dl-Mandelic acid, Uromaline, Amygdalic acid, Almond acid, p-Mandelic acid, Phenylglycolic acid, Mandelsaeure, Paramandelic acid, Amygdalinic acid, L-mandelic acid, Racemic mandelic acid, Phenylhydroxyacetic acid, Glycolic acid, phenyl-, (RS)-Mandelic acid, Hydroxy(phenyl)acetic acid, 2-Phenylglycolic acid, (r)-mandelic acid, (+-)-Mandelic acid, (S)-Mandelic acid

Molecular Formula:	C₈H₈O₃	Molecular Weight:	152.147320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: IWYDHOAUDWTVEP-UHFFFAOYSA-N

• alpha-Cyclohexylmandelic acid

IUPAC Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid | CAS Registry Number: 4335-77-7
Synonyms: Lespedamine, Hexahydrobenzilic acid, ChemDiv2_000672, Phenyl-cyclohexylglycolic acid, RCC 32, Oprea1_543150, MLS001211653, (+-)-Cyclohexylphenylglycolic acid, alpha-Phenylcyclohexaneglycolic acid, EINECS 224-380-4, Cyclohexyl-hydroxy-phenyl-acetic acid, KL-007-M1, NSC 28945, NSC 93969, Cyclohexaneglycolic acid, alpha-phenyl-, NSC28945, NSC93969, SBB008619, FR-2333, Acide phenylcyclohexylhydroxyacetique [French]

Molecular Formula:	C₁₄H₁₈O₃	Molecular Weight:	234.290920 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: YTRNSQPXEDGWMR-UHFFFAOYSA-N

• Aromatic Acid

IUPAC Name: benzoic acid

Molecular Formula:	C₇H₆O₂	Molecular Weight:	122.121340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WPYMKLBDIGXBTP-UHFFFAOYSA-N

• Benzoyl cyanide

IUPAC Name: benzoyl cyanide | CAS Registry Number: 613-90-1
Synonyms: Benzoyl nitrile, BENZOYL CYANIDE, Phenylglyoxylonitrile, Glyoxylonitrile, phenyl-, Oxo(phenyl)acetonitrile, alpha-Oxobenzeneacetonitrile, alpha-oxo-alpha-tolunitrile, Benzeneacetonitrile, .alpha.-oxo-, .alpha.-Oxobenzeneacetonitrile, alpha-Tolunitrile, alpha-oxo-, 115959_ALDRICH, Benzeneacetonitrile, alpha-oxo-, 12961_FLUKA, CHEBI:51853, Glyoxylonitrile, phenyl- (8CI), CID11953, .alpha.-Tolunitrile, .alpha.-oxo-, EINECS 210-359-7, NSC401920, NSC 401920

Molecular Formula:	C₈H₅NO	Molecular Weight:	131.131400 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: GJQBHOAJJGIPRH-UHFFFAOYSA-N

• Calixin

IUPAC Name: 2,6-dimethyl-4-tridecylmorpholine | CAS Registry Number: 81412-43-3
Synonyms: Tridemorph, Calixine, Tridemorphe, Kalinin, Kalixin, Tridemorf [Czech], F 220 (fungicide), Tridemorph [ISO], Caswell No. 386, Tridemorph [BSI:ISO], Tridemorphe [ISO-French], BASF 220F, BAS 2203F, N-Tridecyl-2,6-dimethylmorpholine, Morpholine, 2,6-dimethyl-4-tridecyl-, BAS 2205-F, 4-Tridecyl-2,6-dimethylmorpholine, EINECS 246-347-3, 2,6-DIMETHYL-4-TRIDECYLMORPHOLINE, EPA Pesticide Chemical Code 121401

Molecular Formula:	C₁₉H₃₉NO	Molecular Weight:	297.519060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: YTOPFCCWCSOHFV-UHFFFAOYSA-N

• Chlorophacinone;liphadione

IUPAC Name: 2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione | CAS Registry Number: 3691-35-8
Synonyms: Orcomolebait, Liphadione, Microzul, Redentin, Baraage, Ratomet, Topitox, Muriol, Partox, Saviac, Afnor, Lepit, Razol, Rozol, Chlorphacinon, Actosin C, CHLOROPHACINONE, Ratindan 3, CAID, DRAT

Molecular Formula:	C₂₃H₁₅ClO₃	Molecular Weight:	374.816400 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: UDHXJZHVNHGCEC-UHFFFAOYSA-N

• D(-) Mandelic Acid/(R) Mandelic Acid

IUPAC Name: (2R)-2-hydroxy-2-phenylacetic acid | CAS Registry Number: 611-71-2
Synonyms: (r)-mandelic acid, D-Mandelic acid, (R)-Mandelate, 1mcz, (-)-Mandelic acid, (R)-Mandelsaeure, D(-)-Mandelic acid, Mandelic acid, D-, Mandelic acid, L-, D-2-Phenylglycolic acid, R(-)-Mandelic Acid, R-MANDELIC ACID, (-)-(R)-Mandelic acid, Maybridge1_004148, (R)-(-)-Mandelic acid, M2209_ALDRICH, (R)-alpha-Hydroxyphenylacetic acid, Oprea1_502663, (R)-2-Hydroxy-2-phenylacetate, (R)-2-Hydroxy-2-phenylacetic acid

Molecular Formula:	C₈H₈O₃	Molecular Weight:	152.147320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: IWYDHOAUDWTVEP-SSDOTTSWSA-N

• Dl Mandelic Acid

IUPAC Name: 2-hydroxy-2-phenylacetic acid | CAS Registry Number: 611-72-3
Synonyms: MANDELIC ACID, dl-Mandelic acid, Uromaline, Amygdalic acid, Almond acid, p-Mandelic acid, Phenylglycolic acid, Mandelsaeure, Paramandelic acid, Amygdalinic acid, L-mandelic acid, Racemic mandelic acid, Phenylhydroxyacetic acid, Glycolic acid, phenyl-, (RS)-Mandelic acid, Hydroxy(phenyl)acetic acid, 2-Phenylglycolic acid, (r)-mandelic acid, (+-)-Mandelic acid, (S)-Mandelic acid

Molecular Formula:	C₈H₈O₃	Molecular Weight:	152.147320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: IWYDHOAUDWTVEP-UHFFFAOYSA-N

• Dl-Alpha-Methylbenzylamine

IUPAC Name: 1-phenylethanamine | CAS Registry Number: 98-84-0
Synonyms: 1-Phenylethylamine, 1-Phenylethanamine, 1-Phenethylamine, alpha-Phenylethylamine, 1-Fenylethylamin, ALPHA-METHYLBENZYLAMINE, 1-Amino-1-phenylethane, alpha-Phenethylamine, alpha-Aminoethylbenzene, Ethanamine, 1-phenyl-, Ethylamine, 1-phenyl-, DL-?-Phenylethylamine, .alpha.-Phenethylamine, Sumine 2079, .alpha.-Phenylethylamine, Benzylamine, .alpha.-methyl-, D-alpha-Methylbenzylamine, L-alpha-Methylbenzylamine, .alpha.-Methylbenzylamine, alpha-Methylbenzenemethanamine

Molecular Formula:	C₈H₁₁N	Molecular Weight:	121.179640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: RQEUFEKYXDPUSK-UHFFFAOYSA-N

• Ethyl Benzoylacetate

IUPAC Name: ethyl 3-oxo-3-phenylpropanoate | CAS Registry Number: 94-02-0
Synonyms: ETHYL BENZOYLACETATE, Ethyl benzoyl acetate, Ethyl 3-oxo-3-phenylpropanoate, Benzoylacetic acid ethyl ester, Ethyl beta-oxobenzenepropanoate, FEMA No. 2423, Ethyl 3-phenyl-3-oxopropanoate, Acetic acid, benzoyl-, ethyl ester, W242306_ALDRICH, 281492_ALDRICH, Benzoylacetic acid, ethyl ester, Ethyl 3-oxo-3-phenylpropionate, 12980_FLUKA, 12990_FLUKA, EINECS 202-295-3, NSC6774, 1-Ethoxy-3-phenylpropane-1,3-dione, NSC 227214, ALBB-010188, BRN 0389944

Molecular Formula:	C₁₁H₁₂O₃	Molecular Weight:	192.211180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: GKKZMYDNDDMXSE-UHFFFAOYSA-N

• ETHYL DL-MANDELATE

IUPAC Name: ethyl 2-hydroxy-2-phenylacetate | CAS Registry Number: 4358-88-7
Synonyms: Ethyl phenylglycolate, Ethyl dl-mandelate, ETHYL MANDELATE, Mandelic acid, ethyl ester, Ethyl DL -mandelate, Mandelsaeureaethylester, Mandelic acid ethyl ester, Ambkt34801, Ethyl hydroxy(phenyl)acetate, Ethyl (R)-(-)-mandelate, WLN: QYR&VO2, Ethyl (S)-(+)-mandelate, Mandelsaeureaethylester [German], ethyl 2-hydroxy-2-phenylacetate, NSC 5307, CHEBI:38750, DL-MANDELIC ACID ETHYL ESTER, EINECS 212-263-0, NSC5307, MolPort-000-860-938

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

InChIKey: SAXHIDRUJXPDOD-UHFFFAOYSA-N

• Forchlorfenuron

IUPAC Name: 1-(2-chloropyridin-4-yl)-3-phenylurea | CAS Registry Number: 68157-60-8
Synonyms: CPPU, Forchlorfenuron [ISO], 4PU30 cpd, 4-CPPU, C2791_SIGMA, N-(2-Chloro-4-pyridyl)-N'-phenylurea, CID93379, CPD-5481, 1-(2-chloropyridin-4-yl)-3-phenylurea, NCGC00164383-01, NCGC00164383-02, N-(2-Chloro-4-pyridinyl)-N'-phenylurea, Urea, N-(2-chloro-4-pyridinyl)-N'-phenyl-, LS-159608

Molecular Formula:	C₁₂H₁₀ClN₃O	Molecular Weight:	247.680300 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: GPXLRLUVLMHHIK-UHFFFAOYSA-N

• L(-)-Mandelic Acid

IUPAC Name: (2S)-2-hydroxy-2-phenylacetic acid | CAS Registry Number: 17199-29-0
Synonyms: L-mandelic acid, (S)-Mandelic acid, (S)-Mandelate, D-Mandelic acid, (S)-Mandelsaeure, L-()-Mandelic acid, MANDELIC ACID, S(+)-Mandelic Acid, (S)-()-Mandelic acid, Hydroxy(phenyl)acetic acid, M2004_ALDRICH, (S)-2-Hydroxy-2-phenylacetate, (S)-mandelic acid, MLS000069517, L-(+)-MANDELIC ACID, (S)-2-Hydroxy-2-phenylacetic acid, 63462_FLUKA, CHEBI:32800, (2S)-hydroxy(phenyl)acetic acid, CPD-122

Molecular Formula:	C₈H₈O₃	Molecular Weight:	152.147320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: IWYDHOAUDWTVEP-ZETCQYMHSA-N

• Mandelic Acid Hydrazide

IUPAC Name: 2-hydroxy-2-phenylacetohydrazide | CAS Registry Number: 2443-66-5
Synonyms: Mandelhydrazide, Mandelhydrazine, Mandelic acid hydrazide, Mandelic acid, hydrazide, 2-Hydroxy-2-phenylacetohydrazide, TimTec1_001774, Oprea1_383456, AKL-PFB-014045, CHEBI:304001, AIDS052373, AIDS-052373, ALBB-001061, CID73126, Hydroxy-phenyl-acetic acid hydrazide, STK033310, FR-0207, BBV-27279590, LS-89119, AN-068/40184273

Molecular Formula:	C₈H₁₀N₂O₂	Molecular Weight:	166.177200 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: FWTGUGVETHVGTL-UHFFFAOYSA-N

• Methyl (S)-(+)-mandelate

IUPAC Name: methyl (2S)-2-hydroxy-2-phenylacetate | CAS Registry Number: 21210-43-5
Synonyms: (S)-(+)-Methyl mandelate, methyl (2S)-2-hydroxy-2-phenylacetate, ST50405511, L-(+)-Mandelic Acid Methyl Ester, PubChem13835, Benzeneacetic acid, alpha-hydroxy-, methyl ester, AC1LD7IM, (+)-Methyl L-mandelate, Methyl L-(+)-Mandelate, SureCN186899, Methyl (S)-()-mandelate, 251542_ALDRICH, AC1Q41H0, AC1Q41H1, (S)-mandelic acid methyl ester, MolPort-001-790-898, MolPort-001-794-341, ACT04304, FD1304, ZINC00391162

Molecular Formula:	C₉H₁₀O₃	Molecular Weight:	166.173900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ITATYELQCJRCCK-QMMMGPOBSA-N

• Methyl Benzoyl Formate

IUPAC Name: methyl 2-oxo-2-phenylacetate | CAS Registry Number: 15206-55-0
Synonyms: Methyl benzoylformate, Methyl phenylglyoxylate, Methyl oxophenylacetate, Ambap291, M30507_ALDRICH, methyl 2-oxo-2-phenylacetate, Phenylglyoxylic acid, methyl ester, Phenylglyoxylic acid methyl ester, Glyoxylic acid, phenyl-, methyl ester, EINECS 239-263-3, NSC171206, NSC409881, ZINC02166852, NSC 171206, Benzeneacetic acid, .alpha.-oxo-, methyl ester, AI3-07037, TL8001121, Benzeneacetic acid, alpha-oxo-, methyl ester, 71833-42-6, 81065-82-9

Molecular Formula:	C₉H₈O₃	Molecular Weight:	164.158020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: YLHXLHGIAMFFBU-UHFFFAOYSA-N

• Methyl DL-Mandelate

IUPAC Name: methyl 2-hydroxy-2-phenylacetate | CAS Registry Number: 4358-87-6
Synonyms: Methyl mandelate, Methyl dl-mandelate, Methyl phenylglycolate, Methyl DL -mandelate, Methyl (1)-glycolate, Spectrum_000182, SpecPlus_000159, Mandelic acid, methyl ester, Spectrum2_000182, Spectrum3_000217, Spectrum4_001435, Spectrum5_000290, Methyl (R)-(-)-mandelate, Methyl (S)-(+)-mandelate, BSPBio_001833, KBioGR_001910, KBioSS_000662, M54104_ALDRICH, DivK1c_006255, SPBio_000103

Molecular Formula:	C₉H₁₀O₃	Molecular Weight:	166.173900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ITATYELQCJRCCK-UHFFFAOYSA-N

• O-Acetyl mandelic Acid

IUPAC Name: 2-acetyloxy-2-phenylacetic acid | CAS Registry Number: 5438-68-6
Synonyms: O-Acetylmandelic acid, Maybridge1_006465, 2-acetyloxy-2-phenylacetic acid, NSC14369, FR-2367, RH 00919, SR-01000633241-1

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

InChIKey: OBCUSTCTKLTMBX-UHFFFAOYSA-N

• Phenylglyoxylic Acid

IUPAC Name: 2-oxo-2-phenylacetic acid | CAS Registry Number: 611-73-4
Synonyms: Phenylglyoxylic acid, BENZOYLFORMIC ACID, Benzoylformate, Phenylglyoxalate, Phenylglyoxylate, Benzeneglyoxylic acid, Phenylgloxylic acid, Oxophenylacetic acid, Phenyloxoacetic acid, 2-Phenylethanoic acid, oxo(phenyl)acetic acid, 2-Oxo-2-phenylacetic acid, Formic acid, benzoyl-, Glyoxylic acid, phenyl-, 2-Oxo-2-phenylacetate, alpha-Ketophenylacetic acid, Ambap3005, alpha-Oxobenzeneacetic acid, BENZOYL-FORMIC ACID, WLN: QVVR

Molecular Formula:	C₈H₆O₃	Molecular Weight:	150.131440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: FAQJJMHZNSSFSM-UHFFFAOYSA-N

• Propiophenone

IUPAC Name: 1-phenylpropan-1-one | CAS Registry Number: 93-55-0
Synonyms: Phenetol, Propionylbenzene, Ethyl phenyl ketone, 1-Propanone, 1-phenyl-, 1-Phenyl-1-propanone, Ketone, ethyl phenyl, PHENYL ETHYL KETONE, USAF EK-1235, FEMA No. 3469, WLN: 2VR, P51605_ALDRICH, HSDB 1177, W346918_ALDRICH, 82050_FLUKA, EINECS 202-257-6, NSC 16937, NSC16937, BRN 0606215, ZINC01671385, AI3-00951

Molecular Formula:	C₉H₁₀O	Molecular Weight:	134.175100 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: KRIOVPPHQSLHCZ-UHFFFAOYSA-N

• Tridemorph

IUPAC Name: 2,6-dimethyl-4-tridecylmorpholine | CAS Registry Number: 24602-86-6
Synonyms: Calixine, Calixin, Tridemorphe, Kalinin, Kalixin, Tridemorf [Czech], F 220 (fungicide), Tridemorph [ISO], Caswell No. 386, Tridemorph [BSI:ISO], Tridemorphe [ISO-French], BASF 220F, BAS 2203F, N-Tridecyl-2,6-dimethylmorpholine, Morpholine, 2,6-dimethyl-4-tridecyl-, BAS 2205-F, 4-Tridecyl-2,6-dimethylmorpholine, EINECS 246-347-3, 2,6-DIMETHYL-4-TRIDECYLMORPHOLINE, EPA Pesticide Chemical Code 121401

Molecular Formula:	C₁₉H₃₉NO	Molecular Weight:	297.519060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: YTOPFCCWCSOHFV-UHFFFAOYSA-N

• 2,5-Difluoromandelic acid

IUPAC Name: 2-(2,5-difluorophenyl)-2-hydroxyacetic acid | CAS Registry Number: 207853-61-0
Synonyms: 2,5-difluoro mandelic acid, 2-(2,5-difluorophenyl)-2-hydroxyacetic acid, (2,5-Difluorophenyl)(hydroxy)acetic acid, AC1LBTCD, SureCN1668569, MolPort-000-154-368, SBB063936, AKOS009158212, MCULE-2533360656, AC-10453, KB-105312, FT-0610361, FT-0652897, ST50408068, A814894, I01-3404, I01-6693, 2-[2,5-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoic acid

Molecular Formula:	C₈H₆F₂O₃	Molecular Weight:	188.128246 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: PATKDMCCMCSATF-UHFFFAOYSA-N

• 2-Methyl-3-Acetoxybenzoic Acid

IUPAC Name: 3-acetyloxy-2-methylbenzoic acid | CAS Registry Number: 168899-58-9
Synonyms: 3-Acetoxy-2-methylbenzoic acid, 2-Methyl-3-acetoxybenzoic acid, 3-acetyloxy-2-methylbenzoic acid, SBB063332, AMBA, AC1MXZKZ, ACMC-209dz2, AC1Q1L9V, SureCN6178884, KSC495O2N, 495255_ALDRICH, Jsp003420, CTK3J5726, 3-Acetoxy-2-Methyl-Benzoic Acid, MolPort-001-794-616, AC-594, ANW-22380, 3-(Acetyloxy)-2-methyl-benzoic Acid, AKOS015888713, AB07799

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

InChIKey: LHVJUPHCLWIPLZ-UHFFFAOYSA-N

• 4-Hydroxymandelic Acid

IUPAC Name: 2-hydroxy-2-(4-hydroxyphenyl)acetic acid | CAS Registry Number: 1198-84-1
Synonyms: 4-Hydroxymandelate, 4-Hydroxymandelic acid, 4-Hydroxyphenylglycolic acid, DL-4-Hydroxymandelic acid, Mandelic acid, p-hydroxy-, Hydroxy(4-hydroxyphenyl)acetic acid, CHEBI:16388, alpha,4-Dihydroxybenzeneacetic acid, EINECS 214-839-7, EINECS 230-569-2, Benzeneacetic acid, .alpha.,4-dihydroxy-, ST5406742, C11527, Benzeneacetic acid, .alpha.,4-dihydroxy-, (.+/-.)-, 7198-10-9

Molecular Formula:	C₈H₈O₄	Molecular Weight:	168.146720 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: YHXHKYRQLYQUIH-UHFFFAOYSA-N

• 4-Bromomandelic Acid

IUPAC Name: 2-(4-bromophenyl)-2-hydroxyacetic acid | CAS Registry Number: 6940-50-7
Synonyms: p-Bromomandelic acid, 4-Bromomandelic acid, Mandelic acid, p-bromo-, 4-Bromo-dl-mandelic acid, ChemDiv2_000136, 17520_FLUKA, (4-Bromophenyl)(hydroxy)acetic acid, Mandelic acid, p-bromo- (8CI), NSC60138, EINECS 230-085-1, NSC 60138, 4-Bromo-alpha-hydroxyphenylacetic acid, TL806363, Benzeneacetic acid, 4-bromo-alpha-hydroxy-, ST5308170, Benzeneacetic acid, 4-bromo-.alpha.-hydroxy-, AH-034/32851003, 7021-04-7

Molecular Formula:	C₈H₇BrO₃	Molecular Weight:	231.043380 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: BHZBRPQOYFDTAB-UHFFFAOYSA-N

• 2-Chloro-6-Methyl Benzoic Acid

IUPAC Name: 2-chloro-6-methylbenzoic acid | CAS Registry Number: 21327-86-6
Synonyms: 6-Chloro-o-toluic acid, o-Toluic acid, 6-chloro-, 2-Chloro-6-methylbenzoic acid, Benzoic acid, 6-chloro-4-methyl-, LS-154255, ST5408363, TL8001771

Molecular Formula:	C₈H₇ClO₂	Molecular Weight:	170.592980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CEFMMQYDPGCYMG-UHFFFAOYSA-N

• 2-Methyl-3-Nitro-Phenylacetonitrile

IUPAC Name: 2-(2-methyl-3-nitrophenyl)acetonitrile | CAS Registry Number: 23876-14-4
Synonyms: 2-methyl-3-nitrobenzyl cyanide, 2-Methyl-3-nitrobenzylcyanide, SBB065015, AG-E-70243, 2-(2-methyl-3-nitrophenyl)acetonitrile, 2-(2-methyl-3-nitrophenyl)ethanenitrile, 2-METHYL-3-NITROPHENYLACETONITRILE, BENZENEACETONITRILE, 2-METHYL-3-NITRO-, AGN-PC-00MXP7, SureCN3842149, CTK4F2475, MolPort-001-769-380, ACN-S002755, ANW-53973, ZINC16124414, AKOS009538061, Benzeneacetonitrile,2-methyl-3-nitro-, AB45295, RP23777, (2-Methyl-3-nitro-phenyl)-acetonitrile

Molecular Formula:	C₉H₈N₂O₂	Molecular Weight:	176.172020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: CFNZYZHZLNOYFQ-UHFFFAOYSA-N

• 2-Methyl-6-nitrobenzoic acid

IUPAC Name: 2-methyl-6-nitrobenzoic acid | CAS Registry Number: 13506-76-8
Synonyms: 6-Nitro-o-toluic acid, 2-METHYL-6-NITROBENZOIC ACID, Ambap4624, 5-Nitro-o-toluic acid, o-Toluic acid, 6-nitro-, 6-Methyl-2-nitrobenzoic acid, MLS002152875, 151394_ALDRICH, Benzoic acid, 2-methyl-6-nitro-, EINECS 236-833-3, CID16097, EINECS 217-829-0, LS-789, NCGC00091581-01, 2-METHYL-5-NITROBENZOIC ACID, SMR001224490, ST5406588, InChI=1/C8H7NO4/c1-5-3-2-4-6(9(12)13)7(5)8(10)11/h2-4H,1H3,(H,10,11, 1975-52-6, 27329-28-8

Molecular Formula:	C₈H₇NO₄	Molecular Weight:	181.145480 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: CCXSGQZMYLXTOI-UHFFFAOYSA-N

• 2-methyl-3-nitrophenylacetic acid

IUPAC Name: 2-(2-methyl-3-nitrophenyl)acetic acid | CAS Registry Number: 23876-15-5
Synonyms: 2-Methyl-3-nitrophenylacetic Acid, 2-methyl-3-nitro-benzeneacetic acid, 2-(2-Methyl-3-nitrophenyl)acetic acid, (2-Methyl-3-nitrophenyl)acetic acid, (3-Nitro-o-tolyl)acetic Acid, SBB063963, AG-E-70244, PubChem18230, ACMC-1CIOV, AGN-PC-00MXP8, SureCN1294540, CTK1A1850, 2-(Carboxymethyl)-6-nitrotoluene, MolPort-001-767-501, 2-Methyl-3-nitrophenylacetic acid;, ACN-S002756, ACN-S004160, ANW-25249, WT1651, AKOS009538207

Molecular Formula:	C₉H₉NO₄	Molecular Weight:	195.172060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: LWIOFILTAJJDLA-UHFFFAOYSA-N

• (�)-1-(4-Bromophenyl)ethylamine

IUPAC Name: 1-(4-bromophenyl)ethanamine | CAS Registry Number: 24358-62-1
Synonyms: p-Bromo-alpha-methylbenzylamine, 154067_ALDRICH, 4-Bromo-alpha-methylbenzylamine, (+)-p-Bromo-.alpha.-phenethylamine, (-)-1-(4-Bromophenyl)ethylamine, EINECS 246-200-3, EINECS 256-245-0, (R)-4-Bromo-alpha-methylbenzylamine, SBB006746, Benzenemethanamine, 4-bromo-.alpha.-methyl-, (R)-, InChI=1/C8H10BrN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H, 27298-97-1, 45791-36-4

Molecular Formula:	C₈H₁₀BrN	Molecular Weight:	200.075700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: SOZMSEPDYJGBEK-UHFFFAOYSA-N

• 3,4-Difluoromandelic acid

IUPAC Name: 2-(3,4-difluorophenyl)-2-hydroxyacetic acid | CAS Registry Number: 132741-29-8
Synonyms: 2-(3,4-difluorophenyl)-2-hydroxyacetic acid, SBB063857, AC1LBTC7, SureCN2980094, Jsp001985, CTK8B6996, MolPort-000-154-370, ANW-55755, AKOS005266015, MCULE-7605839300, (3,4-Difluorophenyl)(hydroxy)acetic acid, AC-10450, AK-57919, KB-105163, FT-0614295, ST50408095, A806489, I01-3107, 2-[3,4-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoic acid

Molecular Formula:	C₈H₆F₂O₃	Molecular Weight:	188.128246 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: BKHXODARAOCNDJ-UHFFFAOYSA-N

• 4-Hydroxymandelic Acid Monohydrate

IUPAC Name: 2-hydroxy-2-(4-hydroxyphenyl)acetic acid hydrate | CAS Registry Number: 184901-84-6
Synonyms: p-Hydroxymandelic acid, 168327_ALDRICH, 4-Hydroxymandelic acid monohydrate

Molecular Formula:	C₈H₁₀O₅	Molecular Weight:	186.162000 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: ATPBHLAWGXOMOR-UHFFFAOYSA-N

• 4-Propoxylmandelic Acid

IUPAC Name: 2-hydroxy-2-(4-propoxyphenyl)acetic acid | CAS Registry Number: 79694-16-9
Synonyms: 2-hydroxy-2-(4-propoxyphenyl)acetic Acid, 4-Propoxylmandelic acid, P-propoxy mandelic acid, SBB065019, 4-Propoxymandelic acid, hydroxypropoxyphenylaceticacid, SureCN3685459, KSC493G5L, CTK3J3355, MolPort-001-768-803, hydroxy(4-propoxyphenyl)acetic acid, ANW-74063, AKOS005072818, RP12237, AC-19774, AK-87038, KB-194153, 2-oxidanyl-2-(4-propoxyphenyl)ethanoic acid, FT-0659485, C-6388

Molecular Formula:	C₁₁H₁₄O₄	Molecular Weight:	210.226460 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: UBHMYNPCDNGWBM-UHFFFAOYSA-N

• 3-Hydroxy-2-Methylbenzoic Acid

IUPAC Name: 3-hydroxy-2-methylbenzoic acid | CAS Registry Number: 603-80-5
Synonyms: 3,2-Cresotic acid, NCIOpen2_000440, NSC73133, CID252023

Molecular Formula:	C₈H₈O₃	Molecular Weight:	152.147320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: RIERSGULWXEJKL-UHFFFAOYSA-N

• 3,4-Dichlorobenzophenone

IUPAC Name: (3,4-dichlorophenyl)-phenylmethanone | CAS Registry Number: 6284-79-3
Synonyms: Benzophenone, 3,4-dichloro-, NSC5249, CID80494, EINECS 228-509-5, Methanone, (3,4-dichlorophenyl)phenyl-, ZINC00156632, ST5307903, TL8004286

Molecular Formula:	C₁₃H₈Cl₂O	Molecular Weight:	251.108020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: LLUPHTAYNHAVQT-UHFFFAOYSA-N

• (R)(+) Alpha Methylbenzyl Amine

IUPAC Name: (1R)-1-phenylethanamine | CAS Registry Number: 3886-69-9
Synonyms: 1-Phenylethanamine, D-alpha-Methylbenzylamine, (1R)-1-phenylethanamine, (R)-()-1-Phenylethylamine, 115541_ALDRICH, (R)-()-alpha-Methylbenzylamine, 77879_FLUKA, 77880_FLUKA, CHEBI:35322, Benzenemethanamine, alpha-methyl-, (R)-alpha-Methylbenzenemethanamine, (alphaR)-alpha-methylbenzenemethanamine, SL-00443, InChI=1/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H, 98-84-0

Molecular Formula:	C₈H₁₁N	Molecular Weight:	121.179640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: RQEUFEKYXDPUSK-SSDOTTSWSA-N

• 3,5-Difluoromandelic acid

IUPAC Name: 2-(3,5-difluorophenyl)-2-hydroxyacetic acid | CAS Registry Number: 132741-31-2
Synonyms: 541842_ALDRICH, CID588648, ST5407305, D1169

Molecular Formula:	C₈H₆F₂O₃	Molecular Weight:	188.128246 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: PHMLPPFFMSRWBK-UHFFFAOYSA-N

• 4-Fluoromandelic acid

IUPAC Name: 2-(4-fluorophenyl)-2-hydroxyacetic acid | CAS Registry Number: 395-33-5
Synonyms: NSC73990, EINECS 206-899-8, (4-Fluorophenyl)(hydroxy)acetic acid, NCI60_041621, ST5406904, D1291, Benzeneacetic acid, 4-fluoro-.alpha.-hydroxy-

Molecular Formula:	C₈H₇FO₃	Molecular Weight:	170.137783 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: RWCMOQXHIDWDDJ-UHFFFAOYSA-N

• 5,5'-Dimethyloxazolidine-2,4-dione;5,5-Dimethyl-2,4-oxazolidinedione

IUPAC Name: 5,5-dimethyl-1,3-oxazolidine-2,4-dione | CAS Registry Number: 695-53-4
Synonyms: dimethadione, Dimethadion, Eupractone, Propazone, Dimethyloxazolidinedione, Dimetadione [DCIT], Prestwick_55, Ambap1620, Spectrum_000801, Dimethadione [USAN:INN], Dimetadiona [INN-Spanish], Dimethadionum [INN-Latin], BAX 1400Z, Prestwick0_000829, Prestwick1_000829, Prestwick2_000829, Prestwick3_000829, Spectrum2_000108, Spectrum3_000398, Spectrum4_000518

Molecular Formula:	C₅H₇NO₃	Molecular Weight:	129.113980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: JYJFNDQBESEHJQ-UHFFFAOYSA-N

• (S)(-) Alpha Methyl Benzyl Amine

IUPAC Name: (1S)-1-phenylethanamine | CAS Registry Number: 2627-86-3
Synonyms: L-alpha-Methylbenzylamine, (-)-alpha-Phenethylamine, (1S)-1-phenylethanamine, L-(-)-1-Phenylethylamine, ALPHA-METHYLBENZYLAMINE, L(-)-alpha-Methylbenzylamine, L-(-)-alpha-Phenylethylamine, (S)-alpha-Methylbenzenemethanamine, 115568_ALDRICH, 77869_FLUKA, 77870_FLUKA, CHEBI:35321, (S)-(-)-alpha-Methylbenzylamine, EINECS 220-098-0, (alphaS)-alpha-methylbenzenemethanamine, (S)-(−)-1-Phenylethylamine, SL-00444, (S)-(−)-alpha-Methylbenzylamine, Benzenemethanamine, alpha-methyl-, (alphaS)-, 137577-63-0

Molecular Formula:	C₈H₁₁N	Molecular Weight:	121.179640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: RQEUFEKYXDPUSK-ZETCQYMHSA-N

• 2-Methyl-3-Nitrobenzoic Acid

IUPAC Name: 2-methyl-3-nitrobenzoic acid | CAS Registry Number: 1975-50-4
Synonyms: 3-Nitro-o-toluic acid, 2-METHYL-3-NITROBENZOIC ACID, Benzoic acid, 2-methyl-3-nitro-, Oprea1_641068, 137847_ALDRICH, 3-Nitro-2-methyl benzoic acid, TPC-B005, TPC-I003, EINECS 217-826-4, CID16096, LS-976, NCGC00091604-01, ST5406632, M-4208, InChI=1/C8H7NO4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11

Molecular Formula:	C₈H₇NO₄	Molecular Weight:	181.145480 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: YPQAFWHSMWWPLX-UHFFFAOYSA-N

• 6-Chloropurine

IUPAC Name: 6-chloro-7H-purine | CAS Registry Number: 87-42-3
Synonyms: 6-CHLOROPURINE, Purine, 6-chloro-, 6-Chlorpurine, 6-Chloro-9H-purine, 1H-Purine, 6-chloro-, 6-Chloro-1H-purine, 6-chloro-7H-purine, 6-CP, NSC 744, 161179_ALDRICH, 511617_ALDRICH, NSC744, 26260_FLUKA, EINECS 201-745-6, SK 6048, 1H-Purine, 6-chloro- (9CI), AIDS020977, X 47, AIDS-020977, SBB004030

Molecular Formula:	C₅H₃ClN₄	Molecular Weight:	154.557120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZKBQDFAWXLTYKS-UHFFFAOYSA-N

• 1,3-Dimethyl-2-imidazolidinone

IUPAC Name: 1,3-dimethylimidazolidin-2-one | CAS Registry Number: 80-73-9
Synonyms: Karbomos TsEM, Rhonite 1, Dimethylethyleneurea, Dimethyl imidazolidinone, N,N'-Dimethylethyleneurea, DMEU, 1,3-Dimethylethyleneurea, N,N'-Dimethylimidazolidone, N,N'-Dimethylimidazolidinone, 1,3-Dimethylimidazolidin-2-one, 1,3-Dimethyl-2-imidazolidone, 2-IMIDAZOLIDINONE, 1,3-DIMETHYL-, 193453_ALDRICH, 40725_FLUKA, 40727_FLUKA, EINECS 201-304-8, CID6661, BRN 0108808, SBB008346, 2-IMIDAZOLIDONE,1,3-DIMETHYL

Molecular Formula:	C₅H₁₀N₂O	Molecular Weight:	114.145700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: CYSGHNMQYZDMIA-UHFFFAOYSA-N

• 3-Acetylamino-2-Methylbenzoic Acid

IUPAC Name: 3-acetamido-2-methylbenzoic acid

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

InChIKey: NWXFTFZSOVTXIX-UHFFFAOYSA-N

• 6-Benzylaminopurine

IUPAC Name: N-(phenylmethyl)-7H-purin-6-amine | CAS Registry Number: 1214-39-7
Synonyms: N-Benzyladenine, Benzyladenine, N6-Benzyladenine, 6-Benzyladenine, Benzylaminopurine, Cytokinin B, Adenine, N-benzyl-, 6-(Benzylamino)purine, Pro-Shear, 6-Benzyl adenine, BAP (cytokinin), BA (Growth stimulant), N(6)-Benzylaminopurine, BAP (growth stimulant), Prestwick_414, Aminopurine, 6-benzyl, Caswell No. 081EE, Verdan senescence inhibitor, N(sup 6)-Benzyladenine, Benzyl(purin-6-yl)amine

Molecular Formula:	C₁₂H₁₁N₅	Molecular Weight:	225.249240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: NWBJYWHLCVSVIJ-UHFFFAOYSA-N

• 2-Chloroacetophenone

IUPAC Name: 2-chloro-1-phenylethanone | CAS Registry Number: 532-27-4
Synonyms: Phenacyl chloride, Tear Gas, Phenacylchloride, Mace, Chemical mace, Nutmeg butter, Nutmeg fat, Nutmeg oleoresin, Macis oil, Mace (lacrimator), Oil of nutmeg, Oil of mace, Oils, mace, Nutmeg butter fat, CN (lacrimator), 1-Chloroacetophenone, Nutmeg oil, fixed, Acetophenone, 2-chloro-, CHLOROACETOPHENONE, Fats, nutmeg butter

Molecular Formula:	C₈H₇ClO	Molecular Weight:	154.593580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: IMACFCSSMIZSPP-UHFFFAOYSA-N

• 1,4-Dihydroxy-2-naphthalenecarboxylic acid

IUPAC Name: 1,4-dihydroxynaphthalene-2-carboxylic acid | CAS Registry Number: 31519-22-9
Synonyms: 1,4-Dihydroxy-2-naphthoic acid, DHNA, 1,4-dihydroxy-2-naphthoate, DIHYDROXYNAPHTHOATE, CBMicro_022187, Oprea1_682770, 281255_ALDRICH, CHEBI:18094, 2-Naphthoic acid, 1,4-dihydroxy-, EINECS 250-674-7, 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, NCGC00164120-01, 1,4-Dihydroxynaphthalene-2-carboxylic acid, ST5319963, TL8002414, C03657

Molecular Formula:	C₁₁H₈O₄	Molecular Weight:	204.178820 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: VOJUXHHACRXLTD-UHFFFAOYSA-N

• (R)-(+)-O-Acetylmandelic acid

IUPAC Name: (2R)-2-acetyloxy-2-phenylacetic acid | CAS Registry Number: 51019-43-3
Synonyms: (R)-(-)-alpha-Acetoxyphenylacetic acid, (-)-O-Acetyl-D-mandelic acid, (R)-(-)-a-Acetylmandelic acid, (R)-(-)-O-Acetylmandelic acid, (R)-alpha-Acetoxyphenylacetic acid, PubChem8063, AC1MBZQI, SureCN628737, KSC496E2L, 253030_ALDRICH, AC1Q1L88, CTK3J6225, MolPort-001-792-865, (R)-(-)-alpha-Acetylmandelic acid, (R)-2-Acetoxy-2-phenylacetic acid, ANW-43616, SBB064740, (R)-(-)-A-Acetoxyphenylacetic acid, AKOS015890145, (2R)-2-acetyloxy-2-phenylacetic acid

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

InChIKey: OBCUSTCTKLTMBX-SECBINFHSA-N

• 3-Chloromandelic Acid

IUPAC Name: 2-(3-chlorophenyl)-2-hydroxyacetic acid | CAS Registry Number: 16273-37-3
Synonyms: 3-Chlorophenylglycolic acid, Maybridge3_000705, Oprea1_095112, CID85981, EINECS 240-376-5, BTB 14381, NSC126599, IDI1_012092

Molecular Formula:	C₈H₇ClO₃	Molecular Weight:	186.592380 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: SAMVPMGKGGLIPF-UHFFFAOYSA-N

• 2-Chloromandelic acid

IUPAC Name: 2-(2-chlorophenyl)-2-hydroxyacetic acid | CAS Registry Number: 10421-85-9
Synonyms: Maybridge3_004881, (2-Chlorophenyl)glycolic acid, 530182_ALDRICH, NSC31401, EINECS 233-900-9, NSC 31401, SBB003705, IDI1_016268, AI3-07572, Benzeneacetic acid, 2-chloro-alpha-hydroxy-, SR-01000640397-1

Molecular Formula:	C₈H₇ClO₃	Molecular Weight:	186.592380 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: RWOLDZZTBNYTMS-UHFFFAOYSA-N