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Shanghai Shaoyuan Co. Ltd.

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Web: http://www.shao-yuan.com
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Address: 222 Guangdan Road, No. 21 Pudong New Area, Shanghai 201318, China
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Profile: Shanghai Shaoyuan Co. Ltd. specializes in providing chemical reagents. Our carbonyl compounds include 4-bromothiophene-2-carboxaldehyde, 1H-benzimidazole-5-carbaldehyde, 2-bromo-5-fluorobenzaldehyde, 4,6-dichloropyrimidine-5-carbaldehyde and 5-methoxy-3-pyridinecarboxaldehyde. Our heterocyclic compounds are 2-amino-5-methylthiazole, 5-bromo-2-methylpyridine, 1-hydroxy benzotriazole 2-chloro-3-nitropyridine and 6-chloroindole.

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• 2',4',6'-Trihydroxyacetophenone monohydrate
IUPAC Name: 1-(2,4,6-trihydroxyphenyl)ethanone;hydrate | CAS Registry Number: 249278-28-2
Synonyms: 1-(2,4,6-trihydroxyphenyl)ethanone Hydrate, ST50982894, 2-Acetylbenzene-1,3,5-triol monohydrate, 2',4',6'-TRIHYDROXYACETOPHENONE HYDRATE, 2,4,6-TRIHYDROXYACETOPHENONE MONOHYDRATE, 1-(2,4,6-Trihydroxyphenyl)ethan-1-one monohydrate, ACMC-1CFBK, AC1MCQ0M, SureCN564755, KSC235O7R, MLS002695971, CTK1D5778, ACN-S002715, ANW-30628, AG-A-11800, RP24615, KB-17191, SMR001562126, KB-146336, TL8003246

Molecular Formula: C8H10O5Molecular Weight: 186.162000 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: GDSIBPPJKSBCMF-UHFFFAOYSA-N

• 2-Butoxyacetic acid
IUPAC Name: 2-butoxyacetic acid | CAS Registry Number: 2516-93-0
Synonyms: Butoxyacetic acid, n-Butoxyacetic acid, Acetic acid, butoxy-, CCRIS 7195, NSC 10980, NSC10980, LS-188271, 56637-93-5

Molecular Formula: C6H12O3Molecular Weight: 132.157680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AJQOASGWDCBKCJ-UHFFFAOYSA-N

• 5-Methoxysalicylic acid
IUPAC Name: 2-hydroxy-5-methoxybenzoic acid | CAS Registry Number: 2612-02-4
Synonyms: Acid5-methoxysalicylic, 2-Hydroxy-5-methoxybenzoic acid, m-Anisic acid, 6-hydroxy-, 5-Methoxy-2-hydroxybenzoic acid, 146188_ALDRICH, 5-o-METHYL GENTISIC ACID, Benzoic acid, 2-hydroxy-5-methoxy-, NSC2579, NSC 2579, EINECS 220-037-8, AI3-24048, ST5406567, InChI=1/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11, 25832-71-7

Molecular Formula: C8H8O4Molecular Weight: 168.146720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: IZZIWIAOVZOBLF-UHFFFAOYSA-N

• 4-THP
IUPAC Name: oxan-4-one | CAS Registry Number: 29943-42-8
Synonyms: Tetrahydro-4H-pyran-4-one, 4-Oxotetrahydropyran, Tetrahydro-.gamma.-pyrone, 4H-Pyran-4-one, tetrahydro-, 198242_ALDRICH, ALBB-008898, EINECS 249-967-2, SB 01650, TL8000960, InChI=1/C5H8O2/c6-5-1-3-7-4-2-5/h1-4H

Molecular Formula: C5H8O2Molecular Weight: 100.115820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JMJRYTGVHCAYCT-UHFFFAOYSA-N

• 2-Chloro-N-Methylacetamide
IUPAC Name: 2-chloro-N-methylacetamide | CAS Registry Number: 96-30-0
Synonyms: 2-Chloro-N-methylacetamide, N-Methylchloroacetamide, Acetamide, 2-chloro-N-methyl-, N-Methyl-2-chloroacetamide, USAF DO-35, alpha-Chloro-N-methylacetamide, WLN: G1VM1, NSC1725, NSC 1725, EINECS 202-497-1, .alpha.-Chloro-N-methylacetamide, ALBB-009489, CID66773, BRN 1740634, STK501230, ZINC01576991, FR-1355, LS-8579, 4-04-00-00179 (Beilstein Handbook Reference), T0514-5092

Molecular Formula: C3H6ClNOMolecular Weight: 107.538840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HOZLOOPIXHWKCI-UHFFFAOYSA-N

• 4-Bromo-2-Thiophenecarboxaldehyde
IUPAC Name: 4-bromothiophene-2-carbaldehyde | CAS Registry Number: 18791-75-8
Synonyms: 283452_ALDRICH, 4-Bromothiophene-2-carbaldehyde, 18445_FLUKA, 4-Bromo-2-thiophenecarboxaldehyde, 4-Bromothiophene-2-carboxaldehyde, ZINC00120279, CID87792, EINECS 242-577-3, SBB000293, TL806348

Molecular Formula: C5H3BrOSMolecular Weight: 191.045720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PDONIKHDXYHTLS-UHFFFAOYSA-N

• 2-Indanone
IUPAC Name: 1,3-dihydroinden-2-one | CAS Registry Number: 615-13-4
Synonyms: 2-INDANONE, Indan-2-one, beta-Hydrindone, 1,3-Dihydro-2H-inden-2-one, 2INDANONE, 2H-Inden-2-one, 1,3-dihydro-, 146692_ALDRICH, CHEBI:27930, EINECS 210-410-3, CID11983, BRN 0636550, c0402, ZINC00897211, AI3-39163, LS-81313, C07727, TL80073601, 4-07-00-01002 (Beilstein Handbook Reference), T5573157, InChI=1/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H

Molecular Formula: C9H8OMolecular Weight: 132.159220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: UMJJFEIKYGFCAT-UHFFFAOYSA-N

• 2,3-Dihydroxybenzoic Acid
IUPAC Name: 2,3-dihydroxybenzoic acid | CAS Registry Number: 303-38-8
Synonyms: 2,3-Dihydroxybenzoic acid, o-Pyrocatechuic acid, Pyrocatechuic acid, DOBK, 2-Pyrocatechuic acid, DHBA, 3-Hydroxysalicylic acid, Catecholcarboxylic acid, 2,3-dihydroxybenzoate, Benzoic acid, 2,3-dihydroxy-, 1l6m, 2,3 DHB, Benzoic acid, dihydroxy-, Spectrum2_001086, Spectrum3_001819, Catechol-3-carboxylic acid, BSPBio_003437, 2,3-DIHYDROXY-BENZOIC ACID, MLS001066375, 2-3-DIHYDROXYBENZOATE

Molecular Formula: C7H6O4Molecular Weight: 154.120140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: GLDQAMYCGOIJDV-UHFFFAOYSA-N

• 4-Pyridinecarboxaldehyde
IUPAC Name: pyridine-4-carbaldehyde | CAS Registry Number: 872-85-5
Synonyms: Isonicotinaldehyde, p-Pyridinealdehyde, 4-Pyridinealdehyde, Isonicotinic aldehyde, 4-Pyridylaldehyde, p-Formylpyridine, Pyridine-4-carbaldehyde, 4-FORMYLPYRIDINE, Pyridin-4-al, gamma-Formylpyridine, Pyridine-4-carboxaldehyde, Pyridine-4-ylcarboxaldehyde, P62402_ALDRICH, NSC 8953, EINECS 212-832-3, NSC8953, c1163, SBB004357, ZINC00157163, AI3-33232

Molecular Formula: C6H5NOMolecular Weight: 107.110000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BGUWFUQJCDRPTL-UHFFFAOYSA-N

• 3-Quinuclidinone Hydrochloride
IUPAC Name: 1-azabicyclo[2.2.2]octan-3-one hydrochloride | CAS Registry Number: 1193-65-3
Synonyms: Ambap2256, 3-Quinuclidone hydrochloride, Q1905_ALDRICH, 3-QUINUCLIDINONE HCL, 3-Quinuclidinone hydrochloride, Quinuclidin-3-one hydrochloride, EINECS 214-776-5, NSC 91498, ST5307926, 1-Azabicyclo[2.2.2]octan-3-one hydrochloride, 1-Azabicyclo(2.2.2)octan-3-one, hydrochloride, 139086-75-2

Molecular Formula: C7H12ClNOMolecular Weight: 161.629280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RFDPHKHXPMDJJD-UHFFFAOYSA-N

• 4-Hydroxy-3-Nitrobenzaldehyde
IUPAC Name: 4-hydroxy-3-nitrobenzaldehyde | CAS Registry Number: 3011-34-5
Synonyms: 4-Hydroxy-3-nitrobenzaldehyde, Benzaldehyde, 4-hydroxy-3-nitro-, 144320_ALDRICH, 4-FORMYL-2-NITROPHENOL, EINECS 221-141-6, NSC138267, SBB008631, NSC 138267, TL80073975, InChI=1/C7H5NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10

Molecular Formula: C7H5NO4Molecular Weight: 167.118900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YTHJCZRFJGXPTL-UHFFFAOYSA-N

• 3-Hydroxy-4-methoxyphenylacetic acid
IUPAC Name: 2-(3-hydroxy-4-methoxyphenyl)acetic acid | CAS Registry Number: 1131-94-8
Synonyms: Isohomovanillic acid, Homo-iso-vanillic acid, MLS000574994, 4-Methoxy-3-hydroxyphenylacetic acid, 3-Hydroxy-4-methoxybenzeneacetic acid, (3-hydroxy-4-methoxyphenyl)acetic acid, SMR000156294

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: BWXLCOBSWMQCGP-UHFFFAOYSA-N

• 4-(1H-Imidazol-1-yl)benzoic acid
IUPAC Name: 4-imidazol-1-ylbenzoic acid | CAS Registry Number: 17616-04-5
Synonyms: SBB052662, 4-imidazolylbenzoic acid, SDCCGMLS-0066008.P001, AC1LEIBY, PubChem19564, SureCN62049, AC1Q5TX8, 4-imidazol-1-ylbenzoic acid, Oprea1_400367, 476803_ALDRICH, 4-(imidazol-1-yl)benzoic acid, Jsp003615, CTK4D6100, MolPort-000-142-589, AC1Q7363, AR-1F5603, AKOS000260659, AC-2821, AG-A-64831, AG-E-26543

Molecular Formula: C10H8N2O2Molecular Weight: 188.182720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LFIDZIWWYNTQOQ-UHFFFAOYSA-N

• 2-(4-Morpholinyl)-pyridine-4-carboxylic acid
IUPAC Name: 2-morpholin-4-ylpyridine-4-carboxylic acid | CAS Registry Number: 295349-64-3
Synonyms: 2-morpholin-4-ylisonicotinic acid, 2-Morpholin-4-yl-isonicotinic acid, ALBB-005463, ZERO/009231, ZINC02524958, BAS 07756286

Molecular Formula: C10H12N2O3Molecular Weight: 208.213880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: OVOIVNZYILYGKU-UHFFFAOYSA-N

• 3-(Piperazin-1-yl)benzoic Acid
IUPAC Name: 3-piperazin-1-ylbenzoic acid | CAS Registry Number: 446831-28-3
Synonyms: 3-(PIPERAZIN-1-YL)BENZOIC ACID, 1-(3-carboxyphenyl) piperazine, 3-(1-Piperazinyl)benzoicacid, SBB068003, AG-F-56616, 3-(1-PIPERAZINYL)-BENZOIC ACID, 3-(1-Piperazinyl)benzoic acid, 3-piperazin-1-ylbenzoic Acid, PubChem12239, 3-piperazinylbenzoic acid, SureCN117252, AC1MC2O2, Oprea1_510166, CTK4I8394, MolPort-001-760-863, Benzoic acid,3-(1-piperazinyl)-, ANW-63647, AKOS000101189, AB15441, AC-2739

Molecular Formula: C11H14N2O2Molecular Weight: 206.241060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: GHDMVTUOLYXWCO-UHFFFAOYSA-N

• 4-Methoxy-3-methylbenzoic acid
IUPAC Name: 4-methoxy-3-methylbenzoic acid | CAS Registry Number: 6880-04-2
Synonyms: 4-Methoxy-3-methylbenzoic Acid, 4-Methoxy-3-methyl-benzoic acid, 4-Methoxy-3-MethylbenzoicAcid, 3-methyl-4-methoxybenzoic acid, SBB017677, BAS 12820340, 3-Methyl-p-anisic acid, AC1MC0QP, SureCN701782, AC1Q4C3F, KSC495K5J, Jsp000046, CTK3J5554, MolPort-000-156-819, ACN-S004075, ACT12270, Benzoic acid, 4-methoxy-3-methyl-, ANW-48337, AKOS000112124, AC-2772

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DNMUMZLKDOZMEY-UHFFFAOYSA-N

• 2-Amino-6-Bromobenzoic Acid
IUPAC Name: 2-amino-6-bromobenzoic acid | CAS Registry Number: 20776-48-1
Synonyms: 2-Amino-6-bromobenzoic acid, 6-Bromoanthranilic acid, 3-Bromo-2-carboxyaniline, SBB064519, AG-E-52494, SureCN9092, KSC201S8R, CTK1A1988, BUTTPARK 49\07-50, MolPort-002-317-325, WT475, ACN-S002945, ACT00390, ANW-24212, FC1072, AKOS005257127, AS00804, LS10138, AK-30472, BR-30472

Molecular Formula: C7H6BrNO2Molecular Weight: 216.032040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BNQPROAXWQCNKO-UHFFFAOYSA-N

• 2,3-Dichlorophenylacetic Acid
IUPAC Name: 2-(2,3-dichlorophenyl)acetate | CAS Registry Number: 10236-60-9
Synonyms: ZINC02386141, CID7009911

Molecular Formula: C8H5Cl2O2-Molecular Weight: 204.030100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YWMXEUIQZOQESD-UHFFFAOYSA-M

• 1-Amino-2-Hydroxyindane
IUPAC Name: 1-amino-2,3-dihydro-1H-inden-2-ol | CAS Registry Number: 7480-35-5
Synonyms: Aminoindanol, 1-Amino-2-indanol, 1-Amino-2-hydroxyindane, 1-Amino-indan-2-ol, OWH-BC-0664, CID139034, EN300-40208, I05-0007, I14-0567

Molecular Formula: C9H11NOMolecular Weight: 149.189740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LOPKSXMQWBYUOI-UHFFFAOYSA-N

• 2,2,2-Trifluoro-1-(4-Trifluoromethylphenyl)ethylamine
IUPAC Name: 2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanamine | CAS Registry Number: 158388-49-9
Synonyms: 2,2,2-Trifluoro-1-(4-(trifluoromethyl)phenyl)ethanamine, 2,2,2-TRIFLUORO-1-(4-TRIFLUOROMETHYLPHENYL)ETHYLAMINE, AGN-PC-0030PD, (S)-2,2,2-TRIFLUORO-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHYLAMINE, CTK4C9678, ANW-73549, AKOS013211404, AB39834, AG-E-07502, AK-49440, KB-67062, S01-0784, BENZENEMETHANAMINE, ALPHA,4-BIS(TRIFLUOROMETHYL)-, 2,2,2-TRIFLUORO-1-[4-(TRIFLUOROMETHYL)PHENYL]ETHAN-1-AMINE

Molecular Formula: C9H7F6NMolecular Weight: 243.148999 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: MSVVDWREITXLOD-UHFFFAOYSA-N

• 3-Thiophenecarboxaldehyde
IUPAC Name: thiophene-3-carbaldehyde | CAS Registry Number: 498-62-4
Synonyms: 3-Formylthiophene, Thiophene-3-aldehyde, Thiophene-3-carbaldehyde, 3-Thiophenecarbaldehyde, Thiophene-3-carboxaldehyde, 3-Thienophenecarboxyaldehyde, 196282_ALDRICH, 88983_FLUKA, EINECS 207-865-5, NSC172858, SBB004320, ZINC00158756, NSC 172858, TL8003312, InChI=1/C5H4OS/c6-3-5-1-2-7-4-5/h1-4

Molecular Formula: C5H4OSMolecular Weight: 112.149660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RBIGKSZIQCTIJF-UHFFFAOYSA-N

• 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: 0H-Bond Acceptor: 2

InChIKey: QGMFBCDNJUZQBZ-UHFFFAOYSA-M

• 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid | CAS Registry Number: 269409-73-6
Synonyms: 574694_ALDRICH, BM053, 3-Carboxyphenylboronic acid pinacol ester, ST5405619

Molecular Formula: C13H17BO4Molecular Weight: 248.082680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OPWAPCOSDAFWFB-UHFFFAOYSA-N

• 5-Bromopyridine-2-carboxaldehyde
IUPAC Name: 5-bromopyridine-2-carbaldehyde | CAS Registry Number: 31181-90-5
Synonyms: 5-Bromopicolinaldehyde, MO 07847

Molecular Formula: C6H4BrNOMolecular Weight: 186.006060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZQVLPMNLLKGGIU-UHFFFAOYSA-N

• 5-Fluoro-2-hydroxyacetophenone
IUPAC Name: 1-(5-fluoro-2-hydroxyphenyl)ethanone | CAS Registry Number: 394-32-1
Synonyms: 2-Hydroxy-5-fluoroacetophenone, 5'-Fluoro-2'-hydroxyacetophenone, 247170_ALDRICH, NSC46624, EINECS 206-893-5, Acetophenone, 5'-fluoro-2'-hydroxy-, CID95992, BRN 2359087, ZINC00152766, 1-(5-Fluoro-2-hydroxyphenyl)ethan-1-one, LS-13540, ST5331353, 4-08-00-00325 (Beilstein Handbook Reference)

Molecular Formula: C8H7FO2Molecular Weight: 154.138383 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KOFFXZYMDLWRHX-UHFFFAOYSA-N

• 5-Methylisoxazole-4-carboxylic acid
IUPAC Name: 5-methyl-1,2-oxazole-4-carboxylic acid | CAS Registry Number: 42831-50-5
Synonyms: 633771_ALDRICH, ALBB-005390, SBB005909, M2622G1, TL8003034

Molecular Formula: C5H5NO3Molecular Weight: 127.098100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VQBXUKGMJCPBMF-UHFFFAOYSA-N

• 1,4-Benzodioxan-5-carboxylic acid
IUPAC Name: 2,3-dihydro-1,4-benzodioxine-8-carboxylic acid | CAS Registry Number: 4442-53-9
Synonyms: Oprea1_251985, Oprea1_569155, 563331_ALDRICH, CID78184, SDCCGMLS-0065913.P001, EINECS 224-670-0, ST5212962, 2,3-Dihydro-1,4-benzodioxin-5-carboxylic acid

Molecular Formula: C9H8O4Molecular Weight: 180.157420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VCLSWKVAHAJSFL-UHFFFAOYSA-N

• 3-Chloro-4-methylbenzoic acid
IUPAC Name: 3-chloro-4-methylbenzoic acid | CAS Registry Number: 5162-82-3
Synonyms: p-Toluic acid, 3-chloro-, 3-Chloro-p-toluic acid, Benzoic acid, 3-chloro-4-methyl-, BRN 1936498, LS-154256, ST5407225, TL8003416, 4-09-00-01743 (Beilstein Handbook Reference)

Molecular Formula: C8H7ClO2Molecular Weight: 170.592980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SDKUOEOJAXGCLU-UHFFFAOYSA-N

• 2,3-Dihydrobenzo[b]furan-5-carboxaldehyde
IUPAC Name: 2,3-dihydro-1-benzofuran-5-carbaldehyde | CAS Registry Number: 55745-70-5
Synonyms: 631957_ALDRICH, ZINC00154065, 2,3-Dihydrobenzofuran-5-carboxaldehyde, EINECS 259-788-1, CID735901, SBB005559, 2,3-dihyro-1-benzofuran-5-carbaldehyde, TL8006980

Molecular Formula: C9H8O2Molecular Weight: 148.158620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WEBVDBDZSOJGPB-UHFFFAOYSA-N

• 3-Nitropropiophenone
IUPAC Name: 1-(3-nitrophenyl)propan-1-one | CAS Registry Number: 17408-16-1
Synonyms: m-Nitropropiophenone, 3'-Nitropropiophenone, (3'-Nitropropiophenone), 130761_ALDRICH, EINECS 241-435-8, NSC142328, ZINC01726769, ST5406940

Molecular Formula: C9H9NO3Molecular Weight: 179.172660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VSPOTMOYDHRALZ-UHFFFAOYSA-N

• 3-Methoxycarbonylphenylboronic acid pinacol ester
IUPAC Name: methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate | CAS Registry Number: 480425-35-2
Synonyms: 594652_ALDRICH, BM094, ST5405614, 3-Carbomethoxyphenylboronic acid pinacol ester, Methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Molecular Formula: C14H19BO4Molecular Weight: 262.109260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JBJGSVBGUBATNH-UHFFFAOYSA-N

• 4,6-Dichloro-5-pyrimidinecarbaldehyde
IUPAC Name: (6Z)-6-[[(6-methylpyridin-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one | CAS Registry Number: 5305-40-8
Synonyms: NSC250801, CID5338472, BIM-0016609.P001

Molecular Formula: C13H12N2OMolecular Weight: 212.247180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CGQDVFTZNFDJKS-LUAWRHEFSA-N

• 5-Formyl-2-Hydrobenzoic Acid
IUPAC Name: 5-formyl-2-hydroxybenzoic acid | CAS Registry Number: 616-76-2
Synonyms: 5-Formylsalicylic acid, F17601_ALDRICH, 2-Hydroxy-5-formylbenzoic acid, 47733_FLUKA, NSC15046, NSC16527, Benzoic acid, 5-formyl-2-hydroxy-, EINECS 210-492-0, FS000819, TL8003924

Molecular Formula: C8H6O4Molecular Weight: 166.130840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: UTCFOFWMEPQCSR-UHFFFAOYSA-N

• 1-Boc-4-bromomethylpiperidine
IUPAC Name: tert-butyl 4-(bromomethyl)piperidine-1-carboxylate | CAS Registry Number: 158407-04-6
Synonyms: 4-Bromomethyl-piperidine-1-carboxylic acid tert-butyl ester, N-Boc-4-Bromomethyl-piperidine, tert-Butyl 4-(bromomethyl)piperidine-1-carboxylate, 1-Boc-4-bromomethyl-piperidine, 1-Boc-(4-Bromomethyl)piperidine, AG-E-07527, 4-Bromomethyl-1-(tert-butoxycarbonyl)piperidine, N-BOC-4-BROMOMETHYLPIPERIDINE, 1-PIPERIDINECARBOXYLIC ACID, 4-(BROMOMETHYL)-, 1,1-DIMETHYLETHYL ESTER, PubChem17537, ACMC-209dhs, SureCN8206, AGN-PC-00PI0W, CTK4C9683, MolPort-000-001-798, HT969, ACT02070, 4-Bromomethyl-piperidine-1-carboxyl, ANW-21758, SBB070930

Molecular Formula: C11H20BrNO2Molecular Weight: 278.186000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YGJXBTRLYHCWGD-UHFFFAOYSA-N

• 5-Bromo-6-chloronicotinic acid
IUPAC Name: 5-bromo-6-chloropyridine-3-carboxylic acid | CAS Registry Number: 29241-62-1
Synonyms: 5-bromo-6-chloronicotinic acid, NSC142311, TL8006939, 8W-0257, AI-942/13331020

Molecular Formula: C6H3BrClNO2Molecular Weight: 236.450520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DXEUARPQHJXMII-UHFFFAOYSA-N

• 5-(4-Hydroxybenzyl)-2,4-Thiazolidinedione
IUPAC Name: 5-[(4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione | CAS Registry Number: 74772-78-4
Synonyms: 5-(4-Hydroxybenzyl)-2,4-thiazolidinedione, CHEMBL1061, 5-(4-Hydroxybenzyl)thiazolidine-2,4-dione, AG-G-97552, 5-(4-HYDROXYBENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, Glitazone, ACMC-1BF0J, AGN-PC-0D7W6Y, UNII-M8U25244KP, CTK5E0483, ANW-36524, AKOS015903570, AK-82429, 5-(4-Hydroxybenzyl)thiazolidin-2,4-dione, KB-195958, KB-243636, 5-(4-hydroxybenzyl)-thiazolidine-2,4-dione, FT-0669424, H1299, U 90441

Molecular Formula: C10H9NO3SMolecular Weight: 223.248360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: NKOHRVBBQISBSB-UHFFFAOYSA-N

• 3-Bromoacetophenone
IUPAC Name: 1-(3-bromophenyl)ethanone | CAS Registry Number: 2142-63-4
Synonyms: m-Bromoacetophenone, 3'-Bromoacetophenone, Acetophenone, 3'-bromo-, 3-BROMOACETOPHENONE, Ethanone, 1-(3-bromophenyl)-, 1-Acetyl-3-bromobenzene, 1-(3-Bromophenyl)ethanone, B56358_ALDRICH, Acetophenone, 3'-bromo- (8CI), NSC46620, EINECS 218-396-0, NSC 46620, ZINC00167233, ST5213421

Molecular Formula: C8H7BrOMolecular Weight: 199.044580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JYAQYXOVOHJRCS-UHFFFAOYSA-N

• 2-Methylpyrazine- 5-Carboxylic Acid
IUPAC Name: 5-methylpyrazine-2-carboxylic acid | CAS Registry Number: 5521-55-1
Synonyms: 5-Methyl-2-pyrazinecarboxylic acid, 2-Methylpyrazine-5-carboxylic acid, 347647_ALDRICH, AIDS044806, Pyrazinecarboxylic acid, 5-methyl-, AIDS-044806, CID122831, SBB006622, NCGC00167497-01, TL806280

Molecular Formula: C6H6N2O2Molecular Weight: 138.124040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RBYJWCRKFLGNDB-UHFFFAOYSA-N

• 4-Isopropyl Benzoic Acid
IUPAC Name: 4-propan-2-ylbenzoic acid | CAS Registry Number: 536-66-3
Synonyms: Cuminic acid, 4-Isopropylbenzoic acid, CUMIC ACID, p-Isopropylbenzoic acid, p-cumic acid, p-Cumate, Benzoic acid, p-isopropyl-, 4-(1-Methylethyl)benzoic acid, Benzoic acid, 4-(1-methylethyl)-, 4-(propan-2-yl)benzoic acid, 268402_ALDRICH, NSC 1907, CHEBI:28122, EINECS 208-642-5, NSC1907, AIDS018015, AIDS-018015, Benzoic acid, p-isopropyl- (8CI), NSC20083, BRN 1907514

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CKMXAIVXVKGGFM-UHFFFAOYSA-N

• 6-Trifluoromethylnicotinic acid
IUPAC Name: 6-(trifluoromethyl)pyridine-3-carboxylic acid | CAS Registry Number: 231291-22-8
Synonyms: 6-(Trifluoromethyl)nicotinic acid, 545724_ALDRICH, 6-Trifluoromethyl-nicotinic acid, NSC727682, FS001049, ST5406812, TL8001927, 3S102400, 3S210888

Molecular Formula: C7H4F3NO2Molecular Weight: 191.107370 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: JNYLMODTPLSLIF-UHFFFAOYSA-N

• 3-Amino-1,2,4-Triazole-5-Carboxylic Acid Hemihydrate
IUPAC Name: 3-amino-1H-1,2,4-triazole-5-carboxylic acid | CAS Registry Number: 3641-13-2
Synonyms: NCIOpen2_003620, BB_SC-0053, BB_SC-4176, ALBB-006028, EINECS 222-868-1, NSC164710, NSC513580, NSC 164710, NSC 513580, s-Triazole-3-carboxylic acid, 5-amino-, 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, BAS 01507602, ST028264, 3-Amino-1,2,4-triazole-5-carboxylic acid, 3-Amino-1H-1,2,4-triazole-5-carboxylic acid, 5-Amino-1H-1,2,4-triazole-3-carboxylic acid, 5-Amino-2H-[1,2,4]triazole-3-carboxylic acid, s-Triazole-3-carboxylic acid, 5-amino- (VAN) (8CI), 10054-88-3, 108284-49-7

Molecular Formula: C3H4N4O2Molecular Weight: 128.089460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: MVRGLMCHDCMPKD-UHFFFAOYSA-N

• 4-Chloro-6-methoxyquinoline
IUPAC Name: 4-chloro-6-methoxyquinoline | CAS Registry Number: 4295-04-9
Synonyms: NSC21207, QU064, CID228348, ST5443358, 6658-72-6

Molecular Formula: C10H8ClNOMolecular Weight: 193.629620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BEOVBLPXVFICSP-UHFFFAOYSA-N

• 4-Bromo-N-methylbenzylamine
IUPAC Name: 1-(4-bromophenyl)-N-methylmethanamine | CAS Registry Number: 699-03-6
Synonyms: Benzylamine der, (4-Bromobenzyl)methylamine, 631140_ALDRICH, AIDS107181, Benzenemethanamine, 4-bromo-N-methyl-, AIDS-107181, 874-73-7 (HYDROCHLORIDE), T5211102

Molecular Formula: C8H10BrNMolecular Weight: 200.075700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: URFJXIULELMVHV-UHFFFAOYSA-N

• (3R)-N,N-Dimethyl-3-Pyrrolidinamine Dihydrochloride
IUPAC Name: (3R)-N,N-dimethylpyrrolidin-3-amine;dihydrochloride | CAS Registry Number: 864448-61-3
Synonyms: (R)-(+)-3-(Dimethylamino)pyrrolidine dihydrochloride, (R)-Dimethylpyrrolidin-3-yl-amine dihydrochloride, (R)-3-Dimethylaminopyrrolidine 2HCl, CTK3E7616, ACT05211, ANW-52381, AKOS015844959, AKOS015909210, AG-H-48630, AK-45058, BR-45058, KB-03053, AB1001376, FT-0687379, W8874, (R)-3-Dimethylaminopyrrolidine dihydrochloride, (R)-3-(Dimethylamino)pyrrolidine dihydrochloride, (3R)-N,N-dimethylpyrrolidin-3-amine dihydrochloride, I14-33065, 3-Pyrrolidinamine,N,N-dimethyl-, dihydrochloride, (3R)- (9CI);(3R)-N,N-Dimethylpyrrolidin-3-amine dihydrochloride;3-Pyrrolidinamine, N,N-dimethyl-, (3R)-, hydrochloride (1:2);

Molecular Formula: C6H16Cl2N2Molecular Weight: 187.110640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: LCPKWRSLMCUOOZ-QYCVXMPOSA-N

• 2,6-Dichloro-3-Fluoro Acetophenone
IUPAC Name: 1-(2,6-dichloro-3-fluorophenyl)ethanone | CAS Registry Number: 290835-85-7
Synonyms: 2',6'-Dichloro-3'-fluoroacetophenone, 1-(2,6-dichloro-3-fluorophenyl)ethanone, 2,6-dichloro-3-fluoroacetophenone, 1-(2,6-dichloro-3-fluorophenyl)ethan-1-one, 2,6-Dichloro-3-Fluro Acetophenone, 2,6-dichloro-5-fluoro acetophenone, SBB063192, AG-E-94455, 1-acetyl-2,6-dichloro-3-fluorobenzene, ZINC02389335, PubChem8532, AC1Q1JFG, AC1Q1JFN, ACMC-209h6s, SureCN488779, AC1MC03Q, KSC490E0T, 522945_ALDRICH, Jsp005548, CTK3J0209

Molecular Formula: C8H5Cl2FOMolecular Weight: 207.029103 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VJBFZHHRVCPAPZ-UHFFFAOYSA-N

• 6-Methoxy-1-Tetralone
IUPAC Name: 6-methoxy-3,4-dihydro-2H-naphthalen-1-one | CAS Registry Number: 1078-19-9
Synonyms: 6-Methoxy-1-tetralone, 6-Methoxy-.alpha.-tetralone, 6-methoxytetralin-1-one, 6-Methoxy-alpha-tetralone, M25589_ALDRICH, 1(2H)-Naphthalenone, 3,4-dihydro-6-methoxy-, AIDS017978, AIDS-017978, NSC41700, EINECS 214-078-0, NSC 41700, SBB007549, ZINC03850328, 6-Methoxy-3,4-dihydro-1(2H)-naphthalenone, 3,4-Dihydro-6-methoxy-1(2H)-naphthalenone, 6-methoxy-3,4-dihydro-2H-naphthalen-1-one, 6-Methoxy-3,4-dihydro-2H-naphthalin-1-on, 6-methoxy-3,4-dihydronaphthalen-1(2H)-one, 6-Methoxy-1,2,3,4-tetrahydro-1-naphthalenone, 6-Methoxy-1,2,3,4-tetrahydronaphthalen-1-one

Molecular Formula: C11H12O2Molecular Weight: 176.211780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MNALUTYMBUBKNX-UHFFFAOYSA-N

• 2-(4-Chlorophenoxy)-2-MethylPropionic Acid
IUPAC Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid | CAS Registry Number: 882-09-7
Synonyms: clofibric acid, Clofibrin, Regulipid, Regadrin, Chlorfibrinic acid, Clofibrinic acid, Chlorofibrinic acid, Chlorophibrinic acid, Clofibrate free acid, Clofibrinsaeure, PCIB, PCPIB, Clofibrate Acid, Acidum chlorphibricum, CPIB, Prestwick_39, 4-CPIB, Clofibrinsaeure [German], Clofibric acid (INN), Spectrum_000160

Molecular Formula: C10H11ClO3Molecular Weight: 214.645540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: TXCGAZHTZHNUAI-UHFFFAOYSA-N

• 4-Methyl sulfonyl Benzaldehyde
IUPAC Name: 4-methylsulfonylbenzaldehyde | CAS Registry Number: 5398-77-6
Synonyms: NSC3011, CID220376, SBB005572, ZINC00153759

Molecular Formula: C8H8O3SMolecular Weight: 184.212320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PSVPUHBSBYJSMQ-UHFFFAOYSA-N

• 4-Pyridylacetic acid hydrochloride
IUPAC Name: 2-pyridin-4-ylacetic acid hydrochloride | CAS Registry Number: 6622-91-9
Synonyms: P65851_ALDRICH, 82990_FLUKA, 4-Carboxymethylpyridinium chloride, 4-Pyridineacetic acid hydrochloride, EINECS 229-576-3, SBB003811, TL806132

Molecular Formula: C7H8ClNO2Molecular Weight: 173.596920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WKJRYVOTVRPAFN-UHFFFAOYSA-N

• 6-Bromoindazole
IUPAC Name: 6-bromo-1H-indazole | CAS Registry Number: 79762-54-2
Synonyms: 6-bromo-1H-indazole, AG-H-19731, 6- Bromoindazole, PubChem7831, zlchem 1237, SureCN5902, 6-bromanyl-1H-indazole, 6-Bromo-1H-indazole,, 6-Bromo-1H-indazole;, 1H-Indazole, 6-bromo-, ACMC-209pi5, BROMOINDAZOLE(6-), AGN-PC-01MHI9, INDAZOLE, 6-BROMO-, KSC376S4P, 1H-INDAZOLE,6-BROMO-, AC1Q251Y, CHEMBL247365, CTK2H6947, ZLE0012

Molecular Formula: C7H5BrN2Molecular Weight: 197.032000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WMKDUJVLNZANRN-UHFFFAOYSA-N


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