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Jiangsu Guotai International Group

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Profile: Jiangsu Guotai International Group is a manufacturer of pharmaceutical ingredients, additives and indermediates. Our additives include xanthan gum, sorbic acid, sodium caseinate, potassium sorbate, L-aspartic acid and calcium caseinate. We also offer indoline, indapamide, 4-bromo-1-butene, 3,5-dibromotoluene, 5-cyanoindole and 2-methylindoline.

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• 1,3-Dibromo-5-Chlorobenzene
IUPAC Name: 1,3-dibromo-5-chlorobenzene | CAS Registry Number: 14862-52-3
Synonyms: 1,3-Dibromo-5-chlorobenzene, 1-Chloro-3,5-dibromobenzene, 129127_ALDRICH, Benzene, 1,3-dibromo-5-chloro-, TPC-I027

Molecular Formula: C6H3Br2ClMolecular Weight: 270.349020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FNKCOUREFBNNHG-UHFFFAOYSA-N

• 4-Dimethylamino Cinnamic Acid
IUPAC Name: (E)-3-[4-(dimethylamino)phenyl]prop-2-enoic acid | CAS Registry Number: 1552-96-1
Synonyms: p-(Dimethylamino)cinnamic acid, 4-(Dimethylamino)cinnamic acid, 218979_ALDRICH, 4-(Dimethylamino)Cinnamic Acid., 4-(N,N-Dimethylamino)cinnamic acid, NSC638140, AIDS021431, AIDS-021431, NSC13673, EINECS 216-299-8, NSC643350 (SODIUM SALT), p-Dimethylaminocinnamic acid, sodium salt, AI3-62575, 2-Propenoic acid, 3-(4-(dimethylamino)phenyl)-, T5269467

Molecular Formula: C11H13NO2Molecular Weight: 191.226420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CQNPVMCASGWEHM-VMPITWQZSA-N

• 3-Fluoroanisole
IUPAC Name: 1-fluoro-3-methoxybenzene | CAS Registry Number: 456-49-5
Synonyms: m-Fluoroanisole, 1-FLUORO-3-METHOXYBENZENE, Benzene, 1-fluoro-3-methoxy-, NCIOpen2_001323, 162310_ALDRICH, NSC88277, EINECS 207-267-4, ZINC00388393, F105, TL8003177, InChI=1/C7H7FO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H

Molecular Formula: C7H7FOMolecular Weight: 126.128283 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MFJNOXOAIFNSBX-UHFFFAOYSA-N

• 6-Methoxyindole
IUPAC Name: 6-methoxy-1H-indole | CAS Registry Number: 3189-13-7
Synonyms: Indole, 6-methoxy-, 6-Methoxy-1H-indole, 1H-Indole, 6-methoxy-, NCIOpen2_001305, 1H-Indol-6-yl methyl ether, MLS000689267, 139858_ALDRICH, NSC92517, EINECS 221-689-6, ZINC00337544, LA-0711, M2150G1, SMR000311065, TL8002430, M-3460, AQ-776/40228276

Molecular Formula: C9H9NOMolecular Weight: 147.173860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QJRWYBIKLXNYLF-UHFFFAOYSA-N

• 2,3,4,5-Tetramethoxytoluene
IUPAC Name: 1,2,3,4-tetramethoxy-5-methylbenzene | CAS Registry Number: 35896-58-3
Synonyms: 2,3,4,5-tetramethoxytoluene, 1,2,3,4-tetramethoxy-5-methyl-benzene, 1,2,3,4-tetramethoxy-5-methylbenzene, CTK4H5541, MolPort-003-986-787, ACN-S002045, ACT00411, ANW-47085, ZINC14590475, AKOS015889821, AG-F-24781, AC-18429, AK-48185, BR-48185, Benzene,1,2,3,4-tetramethoxy-5-methyl-, KB-224931, TL8002661, FT-0639288, ST51051818, M-2070

Molecular Formula: C11H16O4Molecular Weight: 212.242340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OIWAVVSMXFIBCD-UHFFFAOYSA-N

• 3,5-Dimethoxytoluene
IUPAC Name: 1,3-dimethoxy-5-methylbenzene | CAS Registry Number: 4179-19-5
Synonyms: Orcinol dimethyl ether, 1,3-Dimethoxy-5-methylbenzene, 3,5-dimethoxy toluene, Toluene, 3,5-dimethoxy-, Benzene, 1,3-dimethoxy-5-methyl-, 5-Methylresorcinol dimethyl ether, 423742_ALDRICH, CID77844, CPD-9502, NSC72352, EINECS 224-048-9, NSC 72352, ZINC00396076, AI3-21137, ST5308659, InChI=1/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H, DMT

Molecular Formula: C9H12O2Molecular Weight: 152.190380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RIZBLVRXRWHLFA-UHFFFAOYSA-N

• 6-Hydroxy-3,4-dihydro-1H-quinolin-2-one
IUPAC Name: 6-hydroxy-3,4-dihydro-1H-quinolin-2-one | CAS Registry Number: 54197-66-9
Synonyms: 6-hydroxy-3,4-dihydroquinolinone, ZINC03957998, CID2774040, TL8003558

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HOSGXJWQVBHGLT-UHFFFAOYSA-N

• 2,3-Dimethoxy-5-methyl-1,4-benzoquinone
IUPAC Name: 2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione | CAS Registry Number: 605-94-7
Synonyms: Ubiquinone-0, Coenzyme Q0, Ubiquinone 0, Ubiquinone-O, Ubiquinone Q0, CoQ0, nchembio.62-comp10, Ccris 7153, D9150_SIGMA, 2-Methyl-4,5-dimethoxy-p-quinone, 2,3-Dimethoxy-5-methylbenzoquinone, STOCK1N-17426, 2,3-Dimethoxy-5-methyl-p-benzoquinone, CHEBI:27906, 2,3-Dimethoxy-5-methylbenzo-1,4-quinone, 2-Methyl-5,6-dimethoxybenzoquinone, CID69068, EINECS 210-100-8, CPD0-1464, p-Benzoquinone, 2,3-dimethoxy-5-methyl-

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: UIXPTCZPFCVOQF-UHFFFAOYSA-N

• 2,3,4-Trimethoxy-6-Methylbenzaldehyde
IUPAC Name: 2,3,4-trimethoxy-6-methylbenzaldehyde | CAS Registry Number: 22383-85-3
Synonyms: EINECS 244-946-4, 4,5,6-Trimethoxy-o-tolualdehyde, CID89683, ZINC02566022, 2,3,4-Trimethoxy-6-methylbenzaldehyde, TL8001874

Molecular Formula: C11H14O4Molecular Weight: 210.226460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OMDNFMOQYYDECR-UHFFFAOYSA-N

• 2-Aminoethylsulphonic Acid
IUPAC Name: 2-aminoethanesulfonic acid | CAS Registry Number: 107-35-7
Synonyms: taurine, tauphon, 2-aminoethanesulfonic acid, L-Taurine, taufon, 2-Sulfoethylamine, O-Due, Taukard, Taurinum [Latin], Aminoethanesulfonic acid, Taurina [Spanish], Taurine [INN], 2-Aminoethylsulfonic acid, aminoethylsulfonic acid, Taurine (TN), beta-Aminoethylsulfonic acid, Taurine (8CI), aminoetylsulphonic acid, 2-aminoethyl sulfonate, ethylaminesulphonic acid

Molecular Formula: C2H7NO3SMolecular Weight: 125.146880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: XOAAWQZATWQOTB-UHFFFAOYSA-N

• 2-Methylindoline
IUPAC Name: 2-methyl-2,3-dihydro-1H-indole | CAS Registry Number: 6872-06-6
Synonyms: Indoline, 2-methyl-, Dihydroindole, 2-methyl-, alpha-Methyldihydroindole, Ambap1636, 2,3-Dihydro-2-methylindole, 2-Methyl-2,3-dihydroindole, 1H-Indole, 2,3-dihydro-2-methyl-, .alpha.-Methyldihydroindole, NCIOpen2_000227, M51601_ALDRICH, PE-11, EINECS 229-971-0, NSC 65598, NSC65598, BRN 0081505, 2,3-DIHYDRO-2-METHYL-1H-INDOLE, LS-83460, 5-20-06-00344 (Beilstein Handbook Reference), InChI=1/C9H11N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7,10H,6H2,1H, 138380-84-4

Molecular Formula: C9H11NMolecular Weight: 133.190340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QRWRJDVVXAXGBT-UHFFFAOYSA-N

• 3-Chloro Cinnamic Acid
IUPAC Name: (E)-3-(3-chlorophenyl)prop-2-enoic acid | CAS Registry Number: 1866-38-2
Synonyms: m-Chlorocinnamic acid, 3-CHLOROCINNAMIC ACID, (E)-m-Chlorocinnamic acid, ALBB-006018, NSC61876, EINECS 217-478-3, EINECS 238-466-4, CID735250, NSC 61876, NSC623439, SBB012383, (2E)-3-(3-chlorophenyl)acrylic acid, 14473-90-6, InChI=1/C9H7ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4

Molecular Formula: C9H7ClO2Molecular Weight: 182.603680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FFKGOJWPSXRALK-SNAWJCMRSA-N

• 6a-MethylPrednisolone
IUPAC Name: (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one | CAS Registry Number: 83-43-2
Synonyms: methylprednisolone, Medrol, Medrone, Metilbetasone, Promacortine, Dopomedrol, Metrisone, Medesone, Mesopren, Metastab, Noretona, Urbasone, Besonia, Medrate, Moderin, Urbason, Wyacort, Sieropresol, Suprametil, Esametone

Molecular Formula: C22H30O5Molecular Weight: 374.470600 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: VHRSUDSXCMQTMA-PJHHCJLFSA-N

• 2,3-Dimethoxy-5-Methyl-P-Benzoquinone (CAS: 3303-98-0)
• 4-BromoCinnamic Acid
IUPAC Name: 3-(4-bromophenyl)prop-2-enoic acid | CAS Registry Number: 1200-07-3
Synonyms: p-Bromocinnamic acid, 4-Bromocinnamic acid, EINECS 214-850-7, BRN 1939350, 2-Propenoic acid, 3-(4-bromophenyl)-, LS-123579, 0-09-00-00597 (Beilstein Handbook Reference)

Molecular Formula: C9H7BrO2Molecular Weight: 227.054680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CPDDDTNAMBSPRN-UHFFFAOYSA-N

• 5-(4-Chlorobutyl)-1-Cyclohexyl Tetrazole
IUPAC Name: 5-(4-chlorobutyl)-1-cyclohexyltetrazole | CAS Registry Number: 73963-42-5
Synonyms: 5-(4-Chlorobutyl)-1-Cyclohexyl-1H-Tetrazole, 1-Cyclohexyl-5-(4-chlorobutyl)-1H-tetrazole, 5-(4-CHLOROBUTYL)-1-CYCLOHEXANYL TETRAZOLE, AG-G-93353, 5-(4-Chlorobuty)-1-cyclohexyl tetrazole, 5-(4-Chlorobutyl)-1-cyclohexyl-1H-teterzole, 1H-Tetrazole, 5-(4-chlorobutyl)-1-cyclohexyl-, 5-(4-Chlorobuty)-1-cyclohexyltetrazol, PubChem9175, 5-(4-chlorobutyl)-1-cyclohexyl-tetrazole, ACMC-1BCKF, SureCN1031402, KSC639A0J, TET002, AGN-PC-004M08, CTK5D9004, MolPort-001-768-539, ANW-36420, RW2768, SBB070864

Molecular Formula: C11H19ClN4Molecular Weight: 242.748360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: INTQSGGUSUSCTJ-UHFFFAOYSA-N

• 5-Bromopyrimidine
IUPAC Name: 5-bromopyrimidine | CAS Registry Number: 4595-59-9
Synonyms: Pyrimidine, 5-bromo-, Ambap3021, 219142_ALDRICH, 18298_FLUKA, EINECS 224-992-1, ZINC00967317, B2363G25, TL8003188, AC-907/25014018, InChI=1/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3

Molecular Formula: C4H3BrN2Molecular Weight: 158.984020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GYCPLYCTMDTEPU-UHFFFAOYSA-N

• 3,4-Dihydrocarbostyril
IUPAC Name: 3,4-dihydro-1H-quinolin-2-one | CAS Registry Number: 553-03-7
Synonyms: Hydrocarbostyril, 3,4-Dihydro-2-quinolinol, Carbostyril, 3,4-dihydro-, o-Aminohydrocinnamic acid lactam, MLS001006274, 415936_ALDRICH, 2(1H)-Quinolinone, 3,4-dihydro-, 2-Oxo-1,2,3,4-tetrahydroquinoline, 3,4-Dihydro-2(1H)-quinolinone, NSC49170, NSC 49170, ZINC00164635, SMR000384280, Carbostyril, 3,4-dihydro- (VAN) (8CI), ST5437352, 2(1H)-Quinolinone, 3,4-dihydro- (9CI), InChI=1/C9H9NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H,5-6H2,(H,10,11

Molecular Formula: C9H9NOMolecular Weight: 147.173860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: TZOYXRMEFDYWDQ-UHFFFAOYSA-N

• 2-Chlorocinnamic acid
IUPAC Name: (E)-3-(2-chlorophenyl)prop-2-enoic acid | CAS Registry Number: 3752-25-8
Synonyms: o-Chlorocinnamic acid, (E)-o-Chlorocinnamic acid, CINNAMIC ACID, o-CHLORO-, WLN: QV1U1R BG, ARONIS004782, NSC 4792, EINECS 223-154-2, NSC4792, 2-(2-Chlorophenyl)propenoic acid, 2-[2-Chlorophenyl]propenoic acid, 3-(2-Chlorophenyl)-2-propenoic acid, ALBB-006017, NSC52173, BRN 1365198, EINECS 213-363-7, CID700642, SBB015306, 2-Propenoic acid, 3-(2-chlorophenyl)-, (2E)-3-(2-chlorophenyl)acrylic acid, LS-54044

Molecular Formula: C9H7ClO2Molecular Weight: 182.603680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KJRRTHHNKJBVBO-AATRIKPKSA-N

• 4-Methyl Cinnamic Acid
IUPAC Name: (E)-3-(4-methylphenyl)prop-2-enoic acid | CAS Registry Number: 1866-39-3
Synonyms: 4-Methylcinnamic acid, p-Methylcinnamic acid, trans-p-Methylcinnamic acid, M35800_ALDRICH, ARONIS003023, NSC66272, EINECS 217-479-9, CID731767, NSC 66272, SBB015822, IDI1_007649, M105, 4-Methylcinnamic acid, predominantly trans, 3-(4-METHYLPHENYL)-2-PROPENOIC ACID

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RURHILYUWQEGOS-VOTSOKGWSA-N

• 2-Nitrocinnamic acid
IUPAC Name: (E)-3-(2-nitrophenyl)prop-2-enoic acid | CAS Registry Number: 1013-96-3
Synonyms: o-Nitrocinnamic acid, trans-2-Nitrocinnamic acid, CCRIS 1668, N16401_ALDRICH, MLS000775419, 3-(2-Nitrophenyl)propenoic acid, CCRIS 2339, EINECS 210-309-4, 3-(2-Nitrophenyl)-2-propenoic acid, NSC 14018, NSC638145, AIDS160600, AIDS-160600, 2-Propenoic acid, 3-(2-nitrophenyl)-, trans-3-(2-Nitrophenyl)acrylic acid, Cinnamic acid, o-nitro- (6CI,7CI,8CI), SMR000368499, LS-123736, LS-190729, ST5109116

Molecular Formula: C9H7NO4Molecular Weight: 193.156180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BBQDLDVSEDAYAA-AATRIKPKSA-N

• 3-Fluorocinnamic acid
IUPAC Name: (E)-3-(3-fluorophenyl)prop-2-enoic acid | CAS Registry Number: 458-46-8
Synonyms: m-Fluorocinnamic acid, (E)-m-Fluorocinnamic acid, trans-3-Fluorocinnamic acid, 290483_ALDRICH, JRD-0525, NSC73988, EINECS 207-281-0, EINECS 243-902-1, SBB006621, trans-3-(3-Fluorophenyl)propenoic acid, TL8003182, (2E)-3-(3-Fluorophenyl)-2-propenoic acid, 2-Propenoic acid, 3-(3-fluorophenyl)-, (E)-, 20595-30-6

Molecular Formula: C9H7FO2Molecular Weight: 166.149083 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RTSIUKMGSDOSTI-SNAWJCMRSA-N

• 3-Nitrocinnamic Acid
IUPAC Name: (E)-3-(3-nitrophenyl)prop-2-enoic acid | CAS Registry Number: 1772-76-5
Synonyms: 3-Nitrocinnamic acid, m-Nitrocinnamic acid, Cinnamic acid, m-nitro, trans-3-Nitrocinnamic acid, 3-nitro-cinnamic acid, Cinnamic acid, m-nitro-, 3-Nitrobenzenepropenoic acid, CCRIS 1667, 130192_ALDRICH, ARONIS013881, NSC 5408, 74135_FLUKA, EINECS 209-104-2, AIDS019389, AIDS-019389, 2-Propenoic acid, 3-(3-nitrophenyl)-, CID687126, STK364573, trans-3-(3-Nitrophenyl)acrylic acid, AI3-08847

Molecular Formula: C9H7NO4Molecular Weight: 193.156180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WWXMVRYHLZMQIG-SNAWJCMRSA-N

• (S)-(+)-2-Amino-2-Phenylethanol
IUPAC Name: (2S)-2-amino-2-phenylethanol | CAS Registry Number: 20989-17-7
Synonyms: D-Phenylglycinol, 2-Amino-2-phenylethanol, 2-Amino-2-pheynlethanol, 2-Amino-2-phenyl-ethanol, L-()-alpha-Phenylglycinol, Benzeneethanol, beta-amino-, (S)-()-2-Phenylglycinol, (S)-2-Amino-2-phenylethanol, 282693_ALDRICH, 78585_FLUKA, Benzeneethanol, beta-amino-, (S)-, SBB006667, TL806424, InChI=1/C8H11NO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H

Molecular Formula: C8H11NOMolecular Weight: 137.179040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IJXJGQCXFSSHNL-MRVPVSSYSA-N

• 16-Dehydropregnenolone Acetate
IUPAC Name: [(3S,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate | CAS Registry Number: 979-02-2
Synonyms: Dehydropregnenolone acetate, 16-Dehydropregnenolone acetate, 16,17-Didehydropregnenolone acetate, EINECS 213-558-7, NSC 37741, CID92855, NSC37741, BRN 1026798, 3beta-Acetoxypregna-5,16-dien-20-one, ZINC02105100, 20-Oxopregna-5,16-dien-3beta-yl acetate, KS-1008, 20-Oxopregna-5,16-dien-3-beta-yl acetate, 3.beta.-Acetoxypregna-5,16-dien-20-one, 3beta-Acetyloxy-pregna-5,16-dien-20-one, LS-118517, (3-beta)-3-(Acetyloxy)pregna-5,16-dien-20-one, 20-Oxopregna-5,16-dien-3.beta.-yl acetate, C14503, Pregna-5,16-dien-20-one, 3-beta-hydroxy-, acetate

Molecular Formula: C23H32O3Molecular Weight: 356.498380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MZWRIOUCMXPLKV-RFOVXIPZSA-N

• 3-Nitro Cinnamic Acid
IUPAC Name: (Z)-3-(3-nitrophenyl)prop-2-enoic acid | CAS Registry Number: 555-68-0
Synonyms: m-Nitrocinnamic acid, Cinnamic acid, m-nitro, Cinnamic acid, m-nitro-, NSC5408, 2-Propenoic acid, 3-(3-nitrophenyl)-

Molecular Formula: C9H7NO4Molecular Weight: 193.156180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WWXMVRYHLZMQIG-PLNGDYQASA-N

• 3,4,5-Trimethoxytoluene
IUPAC Name: 1,2,3-trimethoxy-5-methylbenzene | CAS Registry Number: 6443-69-2
Synonyms: Toluene, 3,4,5-trimethoxy-, 227714_ALDRICH, 1,2,3-Trimethoxy-5-methylbenzene, 92196_FLUKA, Benzene, 1,2,3-trimethoxy-5-methyl-, 5-Methylpyrogallol trimethyl ether, EINECS 229-239-0, ZINC00391984, ST5406464, TL8004566, InChI=1/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H

Molecular Formula: C10H14O3Molecular Weight: 182.216360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: KCIZTNZGSBSSRM-UHFFFAOYSA-N

• 5-Methoxyindole-3-Aldehyde
IUPAC Name: 5-methoxy-1H-indole-3-carbaldehyde | CAS Registry Number: 10601-19-1
Synonyms: 3-Formyl-5-methoxyindole, Oprea1_121493, M14943_ALDRICH, 5-Methoxyindole-3-carboxaldehyde, MLS000575461, 5-Methoxyindole-3-carbaldehyde, ZERO/005117, NSC521754, CID82758, 5-Methoxy-1H-indole-3-carbaldehyde, EINECS 234-220-5, ZINC00286557, 1H-Indole-3-carboxaldehyde, 5-methoxy-, SMR000184711, TL8000226, M-3490

Molecular Formula: C10H9NO2Molecular Weight: 175.183960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: TUWARWGEOHQXCO-UHFFFAOYSA-N

• (S)-4-Benzyl-3-propionyl-2-oxazolidinone
IUPAC Name: (4S)-4-(phenylmethyl)-3-propanoyl-1,3-oxazolidin-2-one | CAS Registry Number: 101711-78-8
Synonyms: 458775_ALDRICH, ZINC00403113, CID2733696, ST5405910, TL8000098, (S)-()-4-Benzyl-3-propionyl-2-oxazolidinone, (4S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone

Molecular Formula: C13H15NO3Molecular Weight: 233.263100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WHOBYFHKONUTMW-NSHDSACASA-N

• 2-Fluorocinnamic acid
IUPAC Name: (E)-3-(2-fluorophenyl)prop-2-enoic acid | CAS Registry Number: 451-69-4
Synonyms: o-Fluorocinnamic acid, Cinnamic acid, o-fluoro-, ortho-Fluorocinnamate, 2-Propenoic acid, 3-(2-fluorophenyl)-, 222712_ALDRICH, EINECS 207-195-3, Cinnamic acid, o-fluoro-, (Z)-, NSC73989, BRN 1863963, IVK/1011865, LS-54106, TL8003132, (2E)-3-(2-Fluorophenyl)-2-propenoic acid, 2-Propenoic acid, 3-(2-fluorophenyl)-, (E)-, 0-09-00-00594 (Beilstein Handbook Reference), 20595-29-3

Molecular Formula: C9H7FO2Molecular Weight: 166.149083 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IOUDZAFBPDDAMK-AATRIKPKSA-N

• 4-Nitrocinnamic acid
IUPAC Name: (E)-3-(4-nitrophenyl)prop-2-enoate | CAS Registry Number: 619-89-6
Synonyms: ZINC00164538

Molecular Formula: C9H6NO4-Molecular Weight: 192.148240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XMMRNCHTDONGRJ-ZZXKWVIFSA-M

• 4-Chloro Cinnamic Acid
IUPAC Name: (E)-3-(4-chlorophenyl)prop-2-enoic acid | CAS Registry Number: 1615-02-7
Synonyms: p-Chlorocinnamic acid, 4-CHLOROCINNAMIC ACID, Cinnamic acid, p-chloro-, (E)-p-Chlorocinnamic acid, trans-p-Chlorocinnamic acid, 3-(p-Chlorophenyl)acrylic acid, WLN: QV1U1R DG, CCRIS 3779, p-Chloro-trans-cinnamic acid, C31600_ALDRICH, CINNAMIC ACID,4-CHLORO, ARONIS014007, Cinnamic acid, p-chloro-, trans-, 3-(4-chlorophenyl)acrylic acid, NSC 1509, NSC 2756, EINECS 216-564-8, NSC1509, NSC2756, 2-Propenoic acid, 3-(4-chlorophenyl)-

Molecular Formula: C9H7ClO2Molecular Weight: 182.603680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GXLIFJYFGMHYDY-ZZXKWVIFSA-N

• 5-Bromo Indole
IUPAC Name: 5-bromo-1H-indole | CAS Registry Number: 10075-50-0
Synonyms: 5-BROMOINDOLE, 1H-Indole, 5-bromo-, Maybridge1_006195, NCIOpen2_000472, B68607_ALDRICH, NSC75581, 1H-Indole, 5-bromo- (9CI), CID24905, EINECS 233-208-7, NSC 75581, ZINC00081120, B2310G25, ST5330596, TL80073616, B-8420, B-8424, SR-01000632498-1, InChI=1/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10

Molecular Formula: C8H6BrNMolecular Weight: 196.043940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VXWVFZFZYXOBTA-UHFFFAOYSA-N

• 3,4-Dimethoxycinnamic acid
IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid | CAS Registry Number: 14737-89-4
Synonyms: Dimethyl caffeic acid, Dimethylcaffeic acid, Caffeic acid dimethyl ether, Spectrum5_000142, 3,4-DIMETHOXYCINNAMIC ACID, 3, 4-Dimethoxycinnamic acid, BSPBio_001672, SPECTRUM210567, MLS000570053, D133809_ALDRICH, SPECTRUM1505130, NSC4323, ARONIS023564, Cinnamic acid, 3,4-dimethoxy-, AIDS021439, AIDS-021439, ALBB-004705, NSC43569, (E)-3',4'-Dimethoxycinnamic acid, EINECS 238-801-4

Molecular Formula: C11H12O4Molecular Weight: 208.210580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HJBWJAPEBGSQPR-GQCTYLIASA-N

• 3-Fluoro-4-(hydroxymethyl)benzonitrile
IUPAC Name: 3-fluoro-4-(hydroxymethyl)benzonitrile | CAS Registry Number: 219873-06-0
Synonyms: 4-cyano-2-fluorobenzyl alcohol, 3-fluoro-4-(hydroxymethyl)benzonitrile, PubChem11157, AGN-PC-009YGE, SureCN1162443, CTK1A1217, MolPort-004-766-506, ACN-S002021, ACT12503, ANW-72561, SBB064991, ZINC34582528, AKOS009345801, AG-E-60427, RP21444, 3-Fluoro-4-(hydroxymethyl)-benzonitrile, 3-Fluoro-4-(hydroxymethyl)benzonitrile;, AK-34149, KB-38353, Benzonitrile, 3-fluoro-4-(hydroxymethyl)-

Molecular Formula: C8H6FNOMolecular Weight: 151.137743 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YGAURRAHPYQHDC-UHFFFAOYSA-N

• 5-Chloro-indole
IUPAC Name: 5-chloro-1H-indole | CAS Registry Number: 17422-32-1
Synonyms: 5-Chloroindole, 5-Chloro-1H-indole, 1H-Indole, 5-chloro-, C47604_ALDRICH, 1H-Indole, 5-chloro- (9CI), BB_SC-1608, ALBB-006063, NSC89562, EINECS 241-448-9, NSC 89562, ZINC00157082, TL8006229, C-4218, C-4220, InChI=1/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10

Molecular Formula: C8H6ClNMolecular Weight: 151.592940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MYTGFBZJLDLWQG-UHFFFAOYSA-N

• 2,5-Dimethoxytoluene (CAS: 24559-58-4)
• 3-Fluoro-4-methylbenzonitrile
IUPAC Name: 3-fluoro-4-methylbenzonitrile | CAS Registry Number: 170572-49-3
Synonyms: 2-Fluoro-4-cyanotoluene, 664030_ALDRICH, ZINC02526234, JRD-0309, CID585140, STK094750, TL8001340

Molecular Formula: C8H6FNMolecular Weight: 135.138343 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KUQQONVKIURIQU-UHFFFAOYSA-N

• 2,3-Dimethoxycinnamic acid
IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acid | CAS Registry Number: 7345-82-6
Synonyms: 2',3'-Dimethoxycinnamic acid, 275484_ALDRICH, trans-2,3-Dimethoxycinnamic acid, ALBB-006208, EINECS 231-249-5, (2E)-3-(2,3-dimethoxyphenyl)acrylic acid, ST5137726, (2E)-3-(2,3-Dimethoxyphenyl)-2-propenoic acid, 2-Propenoic acid, 3-(2,3-dimethoxyphenyl)-, 2-Propenoic acid, 3-(2,3-dimethoxyphenyl)-, (E)-, 7461-60-1, InChI=1/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)/b7-6

Molecular Formula: C11H12O4Molecular Weight: 208.210580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QAXPUWGAGVERSJ-VOTSOKGWSA-N

• 2-Bromo-3,4,5,6-tetramethoxytoluene
IUPAC Name: 1-bromo-2,3,4,5-tetramethoxy-6-methylbenzene | CAS Registry Number: 73875-27-1
Synonyms: 2-Methyl-3,4,5,6-tetramethoxybromobenzene, 1-Bromo-2,3,4,5-tetramethoxy-6-methylbenzene, 2-bromo-3,4,5,6-tetramethoxytoluene, AG-G-92861, PubChem13663, CTK5D8847, MolPort-001-758-026, ZINC15021199, AKOS015890011, AC-4354, AG-G-87368, AK-36254, P424, KB-173641, TL8005110, FT-0641492, FT-0658053, ST51051843, A837948, Benzene,1-bromo-2,3,4,5-tetramethoxy-6-methyl-

Molecular Formula: C11H15BrO4Molecular Weight: 291.138400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: FQPOTLCIUAYGPN-UHFFFAOYSA-N

• 2,3-Dimethoxy Cinnamic Acid
IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acid | CAS Registry Number: 7461-60-1
Synonyms: 2,3-Dimethoxycinnamic acid, 2',3'-Dimethoxycinnamic acid, 275484_ALDRICH, trans-2,3-Dimethoxycinnamic acid, ALBB-006208, EINECS 231-249-5, (2E)-3-(2,3-dimethoxyphenyl)acrylic acid, ST5137726, (2E)-3-(2,3-Dimethoxyphenyl)-2-propenoic acid, 2-Propenoic acid, 3-(2,3-dimethoxyphenyl)-, 2-Propenoic acid, 3-(2,3-dimethoxyphenyl)-, (E)-, 7345-82-6, InChI=1/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)/b7-6

Molecular Formula: C11H12O4Molecular Weight: 208.210580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QAXPUWGAGVERSJ-VOTSOKGWSA-N

• 2,3,4-Trimethoxy Cinnamic Acid
IUPAC Name: (E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoate | CAS Registry Number: 33130-03-9
Synonyms: ZINC00153644, CID5549419

Molecular Formula: C12H13O5-Molecular Weight: 237.228620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ZYOPDNLIHHFGEC-FNORWQNLSA-M

• 2,5-Dimethoxy Cinnamic Acid
IUPAC Name: (E)-3-(2,5-dimethoxyphenyl)prop-2-enoic acid | CAS Registry Number: 10538-51-9
Synonyms: 2,5-Dimethoxycinnamic acid, 2',5'-Dimethoxycinnamic acid, 143596_ALDRICH, MEGxp0_001746, ACon1_002358, trans-2,5-Dimethoxycinnamic acid, ALBB-007461, EINECS 234-114-9, SBB000471, NCGC00169921-01, (2E)-3-(2,5-dimethoxyphenyl)acrylic acid, 2-Propenoic acid, 3-(2,5-dimethoxyphenyl)-, 2,5-Dimethoxycinnamic acid, predominantly trans, (2E)-3-(2,5-Dimethoxyphenyl)-2-propenoic acid, 38489-74-6, InChI=1/C11H12O4/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h3-7H,1-2H3,(H,12,13)/b6-3

Molecular Formula: C11H12O4Molecular Weight: 208.210580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JPQWWJZORKTMIZ-ZZXKWVIFSA-N

• 3-Trifluoromethyl Cinnamic Acid
IUPAC Name: (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate | CAS Registry Number: 779-89-5
Synonyms: ZINC00119696, CID6927016

Molecular Formula: C10H6F3O2-Molecular Weight: 215.148650 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: KSBWHDDGWSYETA-SNAWJCMRSA-M

• 4-Methoxy Cinnamic Acid
IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid | CAS Registry Number: 830-09-1
Synonyms: 4-Methoxycinnamic acid, Bernel hydro, 4-Methoxycinnamate, trans-4-Methoxycinnamic acid, P-METHOXYCINNAMIC ACID, p-MCA, Cinnamic acid, p-methoxy-, Cinnamic acid, 4-methoxy-, O-Methyl-p-coumaric acid, (E)-p-Methoxycinnamic acid, M13807_ALDRICH, METHOXYCINNAMIC ACID, PARA, ARONIS000351, 2-Propenoic acid, 3-(4-methoxyphenyl)-, NSC 5303, 3-(4-Methoxyphenyl)-2-propenoic acid, 3-(4-methoxyphenyl)acrylic acid, 65420_FLUKA, CHEBI:48541, EINECS 212-594-0

Molecular Formula: C10H10O3Molecular Weight: 178.184600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AFDXODALSZRGIH-QPJJXVBHSA-N

• (S)-Prolinol
IUPAC Name: [(2S)-pyrrolidin-2-yl]methanol | CAS Registry Number: 23356-96-9
Synonyms: L-Prolinol, Prolinol, 2-Pyrrolidinemethanol, pyrrolidin-2-ylmethanol, 186511_ALDRICH, ARK010, (S)-()-2-Pyrrolidinemethanol, CID640091, (S)-()-2-(Hydroxymethyl)pyrrolidine, TL8001937, InChI=1/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H, 498-63-5

Molecular Formula: C5H11NOMolecular Weight: 101.146940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HVVNJUAVDAZWCB-YFKPBYRVSA-N

• 2,3,4-Trimethoxy-6-methylphenol
IUPAC Name: 2,3,4-trimethoxy-6-methylphenol | CAS Registry Number: 39068-88-7
Synonyms: PubChem3208, Jsp006798, CTK4I0878, MolPort-001-758-028, 2-Hydroxy-3,4,5-trimethoxytoluene, ZINC15021201, Phenol,2,3,4-trimethoxy-6-methyl-, AKOS006344548, AC-1426, AG-F-37925, AK-34976, KB-16546, FT-0082683, FT-0639520, FT-0652359, ST51051819, M-2278, I01-5767, 2,3,4-Trimethoxy-6-methylphenol;2-Methyl-4,5,6-trimethoxyphenol;4,5,6-Trimethoxy-2-methylphenol;6-Methyl-2,3,4-trimethoxyphenol;

Molecular Formula: C10H14O4Molecular Weight: 198.215760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UGNJWQMNCJYWHG-UHFFFAOYSA-N

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

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

InChIKey: DMAYBPBPEUFIHJ-UHFFFAOYSA-N

• 7-Hydroxy-3,4-Dihydrocarbostyril
IUPAC Name: 7-hydroxy-3,4-dihydro-1H-quinolin-2-one | CAS Registry Number: 22246-18-0
Synonyms: 3,4-Dihydro-7-hydroxy-2(1H)-quinolinone, 7-hydroxy-3,4-dihydro-1H-quinolin-2-one, 7-Hydroxy-3,4-dihydrocarbostyril, 7-Hydroxy-3,4-dihydro-2(1H)-quinolinone, 7-Hydroxy-3,4-dihydro carbostyril, 7-Hydroxy-3,4-dihydro-quinolin-2-one, 7-hydroxy-3,4-dihydroquinolin-2(1H)-one, 3,4-Dihydro-7-hydroxycarbostyril, STK617335, AG-E-62602, 7-Hydroxy-1,2,3,4-tetrahydro-2-quinolinone, 7-hydroxy-1,2,3,4-tetrahydroquinolin-2-one, 7-Hydroxy-2-oxo-1,2,3,4-tetrahydroquinoline, 2(1H)-QUINOLINONE, 3,4-DIHYDRO-7-HYDROXY-, 7-Hydroxy-3,4-dihydroquinolin-2[1H]-one, zlchem 327, PubChem14908, SureCN8751, AGN-PC-00AXYB, AC1MD98D

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LKLSFDWYIBUGNT-UHFFFAOYSA-N

• 4-Cyano-2-fluorobenzyl bromide
IUPAC Name: 4-(bromomethyl)-3-fluorobenzonitrile | CAS Registry Number: 105942-09-4
Synonyms: 4-(Bromomethyl)-3-fluorobenzonitrile, 4-Cyano-2-fluorobenzyl Bromide, 2-fluoro-4-cyanobenzyl bromide, 2-fluoro-4-cyanbenzyl bromide, 4-bromomethyl-3-fluorobenzonitrile, SBB054911, AG-D-19981, 4-(bromomethyl)-3-fluorobenzenecarbonitrile, ZINC03880155, PubChem4907, AC1MD3VE, ACMC-1C5RL, SureCN309991, KSC493S0N, 2-Fluoro-4-cyanobenzylbromide, 4-cyano-2-fluorobenzylbromide, 2-fluoro-4-cyano-benzylbromide, AC1Q4L49, CTK3J3906, MolPort-000-165-797

Molecular Formula: C8H5BrFNMolecular Weight: 214.034403 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZESZAIOGACKOMB-UHFFFAOYSA-N


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