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Shanghai Pesticide Research Institute

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Profile: Shanghai Pesticide Research Institute specializes in providing agrochemcials, fine chemcicals, bio medical and APIs. Agro chemcials include chlorfenapyr, empenthrin, methylamino abamectin, pyrimethanil, flazasulfuron, pendimethalin and diflufenican. Fine chemicals include 2,6-dichloro-5-fluoro-3-pyridinecarbonitrile, 2,6-dichloro-5-fluoronicotinic acid, 2-amino-6-chloropurine, 2-chloro-5-fluoronicotinic acid, 2-chloroacrylic acid and 4-bromo-3-fluorobenzotrifluoride.

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• 3-(Trifluoromethyl)phenylboronic Acid
IUPAC Name: [3-(trifluoromethyl)phenyl]boronic acid | CAS Registry Number: 1423-26-3
Synonyms: Phenylboronic Acid, 3, 432032_ALDRICH, 3-(Trifluoromethyl)phenylboronic acid, 3-Trifluoromethylphenylboronic acid, BM136, 3-(Trifluoromethyl)benzeneboronic acid, ST5405981, TL8000936

Molecular Formula: C7H6BF3O2Molecular Weight: 189.927550 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: WOAORAPRPVIATR-UHFFFAOYSA-N

• 3-Bromo Benzaldehyde
IUPAC Name: 3-bromobenzaldehyde | CAS Registry Number: 3132-99-8
Synonyms: 3-Bromobenzaldehyde, m-Bromobenzaldehyde, Benzaldehyde, 3-bromo-, Benzaldehyde, m-bromo-, B57206_ALDRICH, EINECS 221-526-9, NSC 66828, NSC66828, ZINC02504374, Benzaldehyde, m-bromo- (6CI,7CI,8CI), LS-2136, NCGC00091295-01, TL806134, ST5213334, B-5781, InChI=1/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5

Molecular Formula: C7H5BrOMolecular Weight: 185.018000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SUISZCALMBHJQX-UHFFFAOYSA-N

• 3-Bromoanisole
IUPAC Name: 1-bromo-3-methoxybenzene | CAS Registry Number: 2398-37-0
Synonyms: m-Bromoanisole, Anisole, m-bromo-, m-Bromomethoxybenzene, m-Methoxybromobenzene, 3-Methoxybromobenzene, 3-Methoxy-1-bromobenzene, Benzene, 1-bromo-3-methoxy-, m-Bromophenyl methyl ether, 1-BROMO-3-METHOXYBENZENE, Anisole, m-bromo- (8CI), B56498_ALDRICH, NSC82293, EINECS 219-264-5, NSC 82293, SBB007886, ZINC00164414, FR-0521, TL8001981, B-5680, B-5700

Molecular Formula: C7H7BrOMolecular Weight: 187.033880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PLDWAJLZAAHOGG-UHFFFAOYSA-N

• 3-Chloro-4-Fluorobenzene
IUPAC Name: 2-chloro-1-fluoro-4-nitrobenzene | CAS Registry Number: 350-30-1
Synonyms: 3-Chloro-4-fluoronitrobenzene, 2-Chloro-1-fluoro-4-nitrobenzene, Benzene, 2-chloro-1-fluoro-4-nitro-, 233234_ALDRICH, EINECS 206-499-3, NSC 163894, BRN 1944997, NSC163894, ZINC00586631, LS-29490, TL806155, ST5405086, 4-05-00-00725 (Beilstein Handbook Reference)

Molecular Formula: C6H3ClFNO2Molecular Weight: 175.544923 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DPHCXXYPSYMICK-UHFFFAOYSA-N

• 3-Fluorophenol
IUPAC Name: 3-fluorophenol | CAS Registry Number: 372-20-3
Synonyms: 3-FLUOROPHENOL, Phenol, 3-fluoro-, m-Fluorophenol, Phenol, m-fluoro-, Ambap4386, 3-FLUORO-PHENOL, NCIOpen2_001026, Phenol, m-fluoro- (8CI), F13002_ALDRICH, Phenol, 3-fluoro- (9CI), 47271_FLUKA, NSC87078, EINECS 206-748-6, NSC 87078, ZINC00164911, F135, TL8002741, InChI=1/C6H5FO/c7-5-2-1-3-6(8)4-5/h1-4,8

Molecular Formula: C6H5FOMolecular Weight: 112.101703 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SJTBRFHBXDZMPS-UHFFFAOYSA-N

• 3-Hydroxy-2-methylpyridine
IUPAC Name: 2-methylpyridin-3-ol | CAS Registry Number: 1121-25-1
Synonyms: 2-Methyl-3-pyridinol, 2-Methyl-3-hydroxypyridine, 3-Pyridinol, 2-methyl-, 2-Methylpyridin-3-ol, 3-Hydroxy-2-picoline, 268534_ALDRICH, NSC27506, EINECS 214-327-3, BTB 09012, ZINC00153239, H156, AQ-344/40575762

Molecular Formula: C6H7NOMolecular Weight: 109.125880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AQSRRZGQRFFFGS-UHFFFAOYSA-N

• 3-Hydroxyacetophenone
IUPAC Name: 1-(3-hydroxyphenyl)ethanone | CAS Registry Number: 121-71-1
Synonyms: m-Acetylphenol, m-Hydroxyacetophenone, 3'-Hydroxyacetophenone, 3-ACETYLPHENOL, Acetophenone, 3'-hydroxy-, Ethanone, 1-(3-hydroxyphenyl)-, 1-(3-Hydroxyphenyl)ethanone, H18801_ALDRICH, 3-HYDROXY-ACETOPHENONE, 1-(3-Hydroxyphenyl)ethan-1-one, 328103_ALDRICH, 54170_FLUKA, NSC2440, AIDS017967, Acetophenone, 3'-hydroxy- (8CI), AIDS-017967, NSC 2440, EINECS 204-494-0, ZINC00157435, AI3-14650

Molecular Formula: C8H8O2Molecular Weight: 136.147920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LUJMEECXHPYQOF-UHFFFAOYSA-N

• 3-Methoxyphenylacetic acid
IUPAC Name: 2-(3-methoxyphenyl)acetic acid | CAS Registry Number: 1798-09-0
Synonyms: m-Methoxyphenylacetic acid, (3-Methoxyphenyl)acetic acid, Benzeneacetic acid, 3-methoxy-, 3-Methoxybenzeneacetic acid, M19007_ALDRICH, ACETIC ACID, (m-METHOXYPHENYL)-, EINECS 217-282-8, BRN 2614004, Benzeneacetic acid, 3-methoxy- (9CI), LS-12418, ST5406154, TL80073588, 4-10-00-00541 (Beilstein Handbook Reference), InChI=1/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11

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

InChIKey: LEGPZHPSIPPYIO-UHFFFAOYSA-N

• 3-Phthalaldehyde
IUPAC Name: benzene-1,3-dicarbaldehyde | CAS Registry Number: 626-19-7
Synonyms: Isophthalaldehyde, m-Phthalaldehyde, Isophtaldehydes [French], 1,3-Benzenedicarboxaldehyde, BENZENEDICARBOXALDEHYDE, Benzene-1,3-dicarboxaldehyde, 115282_ALDRICH, NSC 5092, EINECS 210-935-8, NSC5092, 1,3-Benzenedicarboxaldehyde (9CI), BRN 1561038, ZINC00005774, LS-85181, TL8004212, 4-07-00-02139 (Beilstein Handbook Reference), InChI=1/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6, 30025-33-3

Molecular Formula: C8H6O2Molecular Weight: 134.132040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IZALUMVGBVKPJD-UHFFFAOYSA-N

• 3-Trifluoromethyl Aniline
IUPAC Name: 3-(trifluoromethyl)aniline | CAS Registry Number: 98-16-8
Synonyms: 3-Aminobenzotrifluoride, m-Abtf, m-Aminobenzotrifluoride, 3-(Trifluoromethyl)aniline, m-Aminobenzal fluoride, Benzenamine, 3-(trifluoromethyl)-, USAF MA-4, 3-Trifluoromethyl aniline, m-Trifluoromethylaniline, WLN: ZR CXFFF, 3-(Trifluoromethyl)benzenamine, 3-Amino-a,a,a-trifluorotoluene, M-(TRIFLUOROMETHYL)ANILINE, CCRIS 2812, A41801_ALDRICH, 1-Amino-3-(trifluoromethyl)benzene, HSDB 4249, NSC 4540, 07060_FLUKA, alpha,alpha,alpha-Trifluoro-m-toluidine

Molecular Formula: C7H6F3NMolecular Weight: 161.124450 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VIUDTWATMPPKEL-UHFFFAOYSA-N

• 3-Trifluoromethyl Benzoic Acid
IUPAC Name: 3-(trifluoromethyl)benzoic acid | CAS Registry Number: 454-92-2
Synonyms: 3-(Trifluoromethyl)benzoic acid, 3-Carboxybenzotrifluoride, 3-Trifluoromethylbenzoate, m-CARBOXYBENZOTRIFLUORIDE, 188344_ALDRICH, m-(Trifluoromethyl)benzoic acid, 91770_FLUKA, AIDS018130, alpha,alpha,alpha-Trifluoro-m-toluic acid, AIDS-018130, JRD-0051, NSC43025, 3-TRIFLUOROMETHYLBENZOIC ACID, Benzoic acid, 3-(trifluoromethyl)-, EINECS 207-230-2, NSC 43025, SBB003661, alpha,alpha,alpha-Tri-fluoro-m-toluic acid, Benzoic acid, 3-(trifluoromethyl)- (9CI), TL8003158

Molecular Formula: C8H5F3O2Molecular Weight: 190.119310 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: FQXQBFUUVCDIRK-UHFFFAOYSA-N

• 4 - Bromobenzaldehyde
IUPAC Name: 4-bromobenzaldehyde | CAS Registry Number: 1122-91-4
Synonyms: 4-Bromobenzaldehyde, p-Bromobenzaldehyde, Benzaldehyde, 4-bromo-, Benzaldehyde, p-bromo-, nchembio.149-comp26, BENZALDEHYDE,4-BROMO, B57400_ALDRICH, EINECS 214-365-0, NSC 21638, NSC21638, SBB007609, ZINC00039555, LS-24929, AB-131/40654019, InChI=1/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5

Molecular Formula: C7H5BrOMolecular Weight: 185.018000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZRYZBQLXDKPBDU-UHFFFAOYSA-N

• 4-(Trifluoromethyl)phenylboronic acid
IUPAC Name: [4-(trifluoromethyl)phenyl]boronic acid | CAS Registry Number: 128796-39-4
Synonyms: Phenylboronic Acid, 8, nchembio.2007.34-comp11, 439320_ALDRICH, BM262, 4-(Trifluoromethyl)benzeneboronic acid, [4-(Trifluoromethyl)phenyl]boronic acid, ST5405975, TL8000699, alpha,alpha,alpha-Trifluoro-p-tolylboronic acid

Molecular Formula: C7H6BF3O2Molecular Weight: 189.927550 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ALMFIOZYDASRRC-UHFFFAOYSA-N

• 4-Acetylbenzoic Acid
IUPAC Name: 4-acetylbenzoic acid | CAS Registry Number: 586-89-0
Synonyms: 4-ACETYLBENZOIC ACID, Benzoic acid, 4-acetyl-, Acetophenone-4-carboxylic acid, 177458_ALDRICH, 00932_FLUKA, AIDS169338, AIDS-169338, NSC16644, EINECS 209-588-5, FR-2386, ST5406650, TL8003755

Molecular Formula: C9H8O3Molecular Weight: 164.158020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QBHDSQZASIBAAI-UHFFFAOYSA-N

• 4-Amino-2-trifluoromethylbenzonitrile
IUPAC Name: 4-amino-2-(trifluoromethyl)benzonitrile | CAS Registry Number: 654-70-6
Synonyms: 5-Amino-2-cyanobenzotrifluoride, 631752_ALDRICH, 3-Amino-6-cyanobenzotrifluoride, 4-Cyano-3-trifluoromethylaniline, 4-Amino-2-(trifluoromethyl)benzonitrile, ZINC00162833, 4-cyano-3-(trifluoromethyl)aniline, CID522170, A115, ST5408134, TL8004650

Molecular Formula: C8H5F3N2Molecular Weight: 186.133910 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: PMDYLCUKSLBUHO-UHFFFAOYSA-N

• 4-Aminophenol
IUPAC Name: 4-aminophenol | CAS Registry Number: 123-30-8
Synonyms: 4-aminophenol, p-aminophenol, 4-hydroxyaniline, p-hydroxyaniline, Certinal, Paranol, Citol, Azol, 4-aminobenzenol, Phenol, 4-amino-, Activol, Rodinal, Phenol, p-amino-, Fouramine P, Benzofur P, Fourrine P Base, Pelagol P Base, Tertral P Base, Ursol P, Furro P Base

Molecular Formula: C6H7NOMolecular Weight: 109.125880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PLIKAWJENQZMHA-UHFFFAOYSA-N

• 4-Bromo-3-fluorobenzotrifluoride
IUPAC Name: 1-bromo-2-fluoro-4-(trifluoromethyl)benzene | CAS Registry Number: 40161-54-4
Synonyms: JRD-0216, 2-Fluoro-4-(trifluoromethyl)bromobenzene, ST5408600, TL8002904

Molecular Formula: C7H3BrF4Molecular Weight: 242.996333 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XCTQZIUCYJVRLJ-UHFFFAOYSA-N

• 4-BromoBenzotrifluoride
IUPAC Name: 1-bromo-4-(trifluoromethyl)benzene | CAS Registry Number: 402-43-7
Synonyms: 4-Bromobenzotrifluoride, p-Bromobenzotrifluoride, 152692_ALDRICH, 16412_FLUKA, Benzene, 1-bromo-4-(trifluoromethyl)-, 1-Bromo-4-(trifluoromethyl)benzene, JRD-0003, EINECS 206-943-6, 4-Bromo-alpha,alpha,alpha-trifluorotoluene, TL806402, ST5308490, Toluene, p-bromo-.alpha.,.alpha.,.alpha.-trifluoro-, InChI=1/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4

Molecular Formula: C7H4BrF3Molecular Weight: 225.005870 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XLQSXGGDTHANLN-UHFFFAOYSA-N

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

Molecular Formula: C6H5BrOMolecular Weight: 173.007300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GZFGOTFRPZRKDS-UHFFFAOYSA-N

• 4-Chloro-3-Methylbenzoic acid
IUPAC Name: 4-chloro-3-methylbenzoic acid | CAS Registry Number: 7697-29-2
Synonyms: 4-Chloro-3-methylbenzoic acid, m-Toluic acid, 4-chloro-, Benzoic acid, 4-chloro-3-methyl-, NSC137157, ST5408010, TL8005289

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

InChIKey: MRUKIIWRMSYKML-UHFFFAOYSA-N

• 4-Chloro-3-Nitrobenzotrifluoride
IUPAC Name: 1-chloro-2-nitro-4-(trifluoromethyl)benzene | CAS Registry Number: 121-17-5
Synonyms: CMNT, MNT-Cl, Ambap1616, 3-Nitro-4-chlorobenzotrifluoride, 4-CHLORO-3-NITROBENZOTRIFLUORIDE, CCRIS 2817, C60600_ALDRICH, HSDB 4257, 4-Chloro-3-nitrobenzylidyne fluoride, 2-Chloro-5-(trifluoromethyl)nitrobenzene, 2-Nitro-4-trifluoromethylchlorobenzene, 3-Nitro-4-chlorotrifluoromethylbenzene, NSC 8760, EINECS 204-451-6, NSC8760, Benzotrifluoride, 4-chloro-3-nitro-, UN2307, 4-Chloro-3-nitro-a,a,a-trifluorotoluene, 2-Chloro-5-trifluoromethylnitrobenzene, Benzene, 1-chloro-2-nitro-4-(trifluoromethyl)-

Molecular Formula: C7H3ClF3NO2Molecular Weight: 225.552430 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: TZGFQIXRVUHDLE-UHFFFAOYSA-N

• 4-Chlorobenzaldehyde
IUPAC Name: 4-chlorobenzaldehyde | CAS Registry Number: 104-88-1
Synonyms: Benzaldehyde, p-chloro-, P-CHLOROBENZALDEHYDE, Benzaldehyde, 4-chloro-, 4-Chlorobenzenaldehyde, PCAD, p-Chlorobenzenecarboxaldehyde, 4-chlorobenzoic aldehyde, CCRIS 857, 112216_ALDRICH, NSC 2078, 23491_FLUKA, EINECS 203-247-4, NSC2078, c0418, LS-382, ZINC00896325, AI3-52280, NCGC00091804-01, ST5213377, C06648

Molecular Formula: C7H5ClOMolecular Weight: 140.567000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AVPYQKSLYISFPO-UHFFFAOYSA-N

• 4-Cyanobenzaldehyde
IUPAC Name: 4-formylbenzonitrile | CAS Registry Number: 105-07-7
Synonyms: 4-Formylbenzonitrile, p-Cyanobenzaldehyde, p-Formylbenzonitrile, Benzonitrile, 4-formyl-, Terephthalaldehydonitrile, Benzaldehyde, p-cyano-, Benzonitrile, p-formyl-, USAF KF-1, p-Cyanobenzenecarboxaldehyde, WLN: VHR DCN, C89609_ALDRICH, Terephthalaldehydonitrile (8CI), NSC 5091, 28350_FLUKA, EINECS 203-267-3, NSC5091, SBB008634, ZINC00156750, FR-2351, LS-24982

Molecular Formula: C8H5NOMolecular Weight: 131.131400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WZWIQYMTQZCSKI-UHFFFAOYSA-N

• 4-Fluoro-3-Nitrobenzotrifluoride
IUPAC Name: 1-fluoro-2-nitro-4-(trifluoromethyl)benzene | CAS Registry Number: 367-86-2
Synonyms: FNBT, 4-Fluoro-3-nitrobenzotrifluoride, 3-Nitro-4-fluoro benzotrifluoride, 214337_ALDRICH, 346640_ALDRICH, JRD-0165, NSC10303, EINECS 206-702-5, SBB009902, ZINC00056533, 3-Nitro-alpha,alpha,alpha,4-tetrafluorotoluene, 4,alpha,alpha,alpha-Tetrafluoro-3-nitrotoluene, InChI=1/C7H3F4NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3

Molecular Formula: C7H3F4NO2Molecular Weight: 209.097833 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: HLDFCCHSOZWKAA-UHFFFAOYSA-N

• 4-Hydroxybenzophenone
IUPAC Name: (4-hydroxyphenyl)-phenylmethanone | CAS Registry Number: 1137-42-4
Synonyms: p-Benzoylphenol, 4-Benzoylphenol, P-HYDROXYBENZOPHENONE, Benzophenone, 4-hydroxy-, 4'-Hydroxybenzophenone, para-hydroxybenzophenone, (4-Hydroxyphenyl)phenylmethanone, Methanone, (4-hydroxyphenyl)phenyl-, (4-Hydroxyphenyl)(phenyl)methanone, H20202_ALDRICH, nchembio.2007.32-comp8, 4-HYDROXY-BENZOPHENONE, NSC 1887, 4-hydroxybenzophenone, ion(1-), 54800_FLUKA, EINECS 214-507-1, NSC1887, STK045122, ZINC00388760, AI3-00862

Molecular Formula: C13H10O2Molecular Weight: 198.217300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NPFYZDNDJHZQKY-UHFFFAOYSA-N

• 4-Hydroxyphenylboronic Acid
IUPAC Name: (4-hydroxyphenyl)boronic acid | CAS Registry Number: 71597-85-8
Synonyms: 4-Hydroxyphenylboronic acid, 523976_ALDRICH, BM604, (4-HYDROXYPHENYL)BORONIC ACID, TL8005019

Molecular Formula: C6H7BO3Molecular Weight: 137.928980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: COIQUVGFTILYGA-UHFFFAOYSA-N

• 4-Hydroxyphenylboronic Acid pinacol ester
IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol | CAS Registry Number: 269409-70-3
Synonyms: 522570_ALDRICH, BM007, 4-Hydroxyphenylboronic acid pinacol ester, ST5405627, 4-Hydroxyphenylboronic acid pinacol cyclic ester, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Molecular Formula: C12H17BO3Molecular Weight: 220.072580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BICZJRAGTCRORZ-UHFFFAOYSA-N

• 4-Hydroxyphenylboronic acid THP ether
IUPAC Name: [4-(oxan-2-yloxy)phenyl]boronic acid | CAS Registry Number: 182281-01-2
Synonyms: H3812G1, ST5405991, TL8001462, [4-(Tetrahydro-2H-pyran-2-yloxy)phenyl]boronic acid

Molecular Formula: C11H15BO4Molecular Weight: 222.045400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DMGMCZRNMYQQQB-UHFFFAOYSA-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: C5H11NOMolecular Weight: 101.146940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HDOWRFHMPULYOA-UHFFFAOYSA-N

• 4-methylcyclohexylisocyanate(trans)
IUPAC Name: 1-isocyanato-4-methylcyclohexane | CAS Registry Number: 32175-00-1
Synonyms: trans-4-methycyclohexyl isocyanate, 4-Methylcyclohexyl isocyanate, 1-isocyanato-4-methylcyclohexane, 4-methyl cyclohexyl isocyanate, Isocyanic acid trans-4-methylcyclohexyl ester, trans-4-methylcyclohexylisocyanate, 1-isocyanato-4-methyl-cyclohexane, trans 4-Methylcyclohexyl isocyanate, trans-4-methylcyclohexyl isocyanate, trans-4-methyl cyclohexyl isocyanate, (Trans-4-methylcyclohexylisocyanate), trans-1-isocyanato-4-methyl-cyclohexane, 38258-74-1, PubChem20720, AGN-PC-008TLC, KSC568G4N, Jsp005960, CTK4G8346, MolPort-003-987-692, ACN-S003913

Molecular Formula: C8H13NOMolecular Weight: 139.194920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SWSXEZOUBBVKCO-UHFFFAOYSA-N

• 4-Nitrobenzoic acid
IUPAC Name: 4-nitrobenzoic acid | CAS Registry Number: 62-23-7
Synonyms: p-Nitrobenzoic acid, Nitrodracylic acid, Benzoic acid, 4-nitro-, 4-NITROBENZOIC ACID, Benzoic acid, p-nitro-, 4-Nitrodracylic acid, 1-Carboxy-4-nitrobenzene, PNBA, Kyselina p-nitrobenzoova, WLN: WNR DVQ, p-Nitrobenzenecarboxylic acid, CCRIS 1185, HSDB 2140, Kyselina p-nitrobenzoova [Czech], 461091_ALDRICH, NSC 7707, 72910_FLUKA, EINECS 200-526-2, CID6108, NSC7707

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

InChIKey: OTLNPYWUJOZPPA-UHFFFAOYSA-N

• 4-Nitrochlorobenzene
IUPAC Name: 1-chloro-4-nitrobenzene | CAS Registry Number: 100-00-5
Synonyms: 4-Chloronitrobenzene, p-Chloronitrobenzene, p-Nitrochlorobenzene, PNCB, 1-CHLORO-4-NITROBENZENE, Nitrochlorobenzene, p-Nitrophenyl chloride, Benzene, 1-chloro-4-nitro-, p-Nitrochlorobenzol, p-Nitroclorobenzene, p-Nitrochloorbenzeen, 1-Nitro-4-chlorobenzene, 4-Chloro-1-nitrobenzene, 4-Nitro-1-chlorobenzene, 1,4-Chloronitrobenzene, 1-Chlor-4-nitrobenzol, 1-Cloro-4-nitrobenzene, 1-Chloor-4-nitrobenzeen, WLN: WNR DG, p-Nitrochloorbenzeen [Dutch]

Molecular Formula: C6H4ClNO2Molecular Weight: 157.554460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CZGCEKJOLUNIFY-UHFFFAOYSA-N

• 5-Bromonicotinic acid
IUPAC Name: 5-bromopyridine-3-carboxylic acid | CAS Registry Number: 20826-04-4
Synonyms: Nicotinic acid, 5-bromo-, 5-Bromo Nicotinic Acid, Maybridge3_006031, MLS000737908, TPC-PY044, 3-Pyridinecarboxylic acid, 5-bromo-, 5-Bromo-3-pyridinecarboxylic acid, 228435_ALDRICH, NSC 9461, EINECS 244-065-5, NSC9461, 5-Bromopyridine-3-carboxylic acid, BRN 0115854, SBB003524, IDI1_017418, LS-96532, SMR000528085, TL806116, 3-Pyridinecarboxylic acid, 5-bromo- (9CI), 5-22-02-00181 (Beilstein Handbook Reference)

Molecular Formula: C6H4BrNO2Molecular Weight: 202.005460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FQIUCPGDKPXSLL-UHFFFAOYSA-N

• 5-Chloro-2-Pentanone
IUPAC Name: 5-chloropentan-2-one | CAS Registry Number: 5891-21-4
Synonyms: 1-Chloro-4-pentanone, 5-Chloro-2-pentanone, 2-Pentanone, 5-chloro-, 2-Pentanone 5-chloro-, 5-Chloropentan-2-one, 3-Chloropropyl methyl ketone, ACETYLPROPYL CHLORIDE, Methyl 3-chloropropyl ketone, C62603_ALDRICH, NSC 8427, 25791_FLUKA, EINECS 227-565-8, NSC8427, NSC 60210, NSC60210, ZINC01586735, AI3-08709, LS-101919

Molecular Formula: C5H9ClOMolecular Weight: 120.577360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XVRIEWDDMODMGA-UHFFFAOYSA-N

• 5-Fluoroindole
IUPAC Name: 5-fluoro-1H-indole | CAS Registry Number: 399-52-0
Synonyms: Indole, 5-fluoro-, 1H-Indole, 5-fluoro-, 5-Fluoro-1H-indole, F9108_ALDRICH, NSC88613, EINECS 206-917-4, ZINC00388684, SL-00462, TL8002888, F-4520, F-4525, InChI=1/C8H6FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10

Molecular Formula: C8H6FNMolecular Weight: 135.138343 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ODFFPRGJZRXNHZ-UHFFFAOYSA-N

• 5-Methyl Salicylic Acid
IUPAC Name: 2-hydroxy-5-methylbenzoic acid | CAS Registry Number: 89-56-5
Synonyms: p-Cresotic acid, 5-Methylsalicylic acid, p-Cresotinic acid, p-Homosalicylic acid, 2,5-Cresotic acid, alpha-Cresotinic acid, 6-Hydroxy-m-toluic acid, .alpha.-Cresotinic acid, 5-Methyl-2-hydroxybenzoic acid, 6-Hydroxy-3-methylbenzoic acid, 2-HYDROXY-5-METHYLBENZOIC ACID, 146161_ALDRICH, 61110_FLUKA, Benzoic acid, 2-hydroxy-5-methyl-, EINECS 201-918-6, NSC 38518, NSC38518, BRN 1909076, AI3-25422, LS-55454

Molecular Formula: C8H8O3Molecular Weight: 152.147320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: DLGBEGBHXSAQOC-UHFFFAOYSA-N

• 5-Nitro-1.3-Benzene Dicarboxylic Acid
IUPAC Name: 5-nitrobenzene-1,3-dicarboxylic acid | CAS Registry Number: 618-88-2
Synonyms: 5-Nitroisophthalic acid, Isophthalic acid, 5-nitro-, 5-NITRO-M-PHTHALIC ACID, N18005_ALDRICH, 73450_FLUKA, 1,3-Benzenedicarboxylic acid, 5-nitro-, 1-Nitrobenzene-3,5-dicarboxylic acid, 5-Nitro-1,3-benzenedicarboxylic acid, AIDS019417, AIDS-019417, NSC66545, EINECS 210-568-3, Isophthalic acid, 5-nitro- (8CI), NSC 66545, 5-Nitrobenzene-1,3-dicarboxylic acid, SL-02131, TL8003971

Molecular Formula: C8H5NO6Molecular Weight: 211.128400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: NBDAHKQJXVLAID-UHFFFAOYSA-N

• 6-Nitroindole
IUPAC Name: 6-nitro-1H-indole | CAS Registry Number: 4769-96-4
Synonyms: 6-Nitro-1H-indole, 1H-Indole, 6-nitro-, Oprea1_036961, NSC89285, EINECS 225-311-0, ZINC00262264, ST5405646, TL8003236, EU-0033530, N-3020

Molecular Formula: C8H6N2O2Molecular Weight: 162.145440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PSWCIARYGITEOY-UHFFFAOYSA-N

• 8-Amino Quinoline
IUPAC Name: quinolin-8-amine | CAS Registry Number: 578-66-5
Synonyms: 8-Quinolinamine, 8-Quinolylamine, 8-AMINOQUINOLINE, Quinoline, 8-amino-, quinolin-8-ylamine, CCRIS 1683, 260789_ALDRICH, NSC 7933, EINECS 209-427-9, NSC7933, NC 066, AIDS020624, AIDS-020624, WR 6920, BRN 0114474, AS-232, ZINC00105176, SDCCGMLS-0065843.P001, LS-141301, TL80073502

Molecular Formula: C9H8N2Molecular Weight: 144.173220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WREVVZMUNPAPOV-UHFFFAOYSA-N

• 9-Fluorenone
IUPAC Name: fluoren-9-one | CAS Registry Number: 486-25-9
Synonyms: Fluoren-9-one, 9H-Fluoren-9-one, FLUORENONE, 9-Oxofluorene, Diphenylene ketone, 9FLUORENONE, CCRIS 593, F1506_ALDRICH, HSDB 5490, WLN: L B656 HVJ, NSC 5181, 46900_FLUKA, CHEBI:17922, EINECS 207-630-7, NSC5181, c0390, ZINC00968253, AI3-00858, LS-69306, TL8003268

Molecular Formula: C13H8OMolecular Weight: 180.202020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YLQWCDOCJODRMT-UHFFFAOYSA-N


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