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Profile: The New Century Chemical & Pharmaceutical Enterprise offers 5-hydroxymethylfurfural, 2-methyl-2-propanethiol, ursolic acid, 2-formyl-3,4-dihydro-2H-pyran, 4-bromo-3-nitrobenzotrifluoride, 3-methoxy-5-(trifluoromethyl)aniline, 4-bromo-1-fluoro-2-nitrobenzene, artemisin and isonipecotic acid.

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• Methyl 4-piperidinecarboxylate
IUPAC Name: methyl piperidine-4-carboxylate;hydrochloride | CAS Registry Number: 2971-79-1
Synonyms: methyl piperidine-4-carboxylate hydrochloride, 7462-86-4, methyl isonipecotate hydrochloride, methyl piperidine-4-carboxylate hcl, SBB054004, methyl piperidine-4-carboxylate hcl salt, methyl 4-piperidinecarboxylate hydrochloride, Piperidine-4-carboxylic acid methyl ester hydrochloride, methyl piperidine-4-carboxylate, chloride, PubChem7745, SureCN774514, AC1Q3BX3, CTK6J0912, methyl 4-piperidinecarboxylate hcl, MolPort-001-815-125, methyl isonipecotinate hydrochloride, ACT10169, methyl 4-piperidinecarboxylate, hcl, ANW-42580, NSC402200

Molecular Formula: C7H14ClNO2Molecular Weight: 179.644560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XAVNWNCTXQDFLF-UHFFFAOYSA-N

• Methyl 6-aminonicotinate
IUPAC Name: methyl 6-aminopyridin-1-ium-3-carboxylate | CAS Registry Number: 36052-24-1
Synonyms: ZINC00167664, CID6933770

Molecular Formula: C7H9N2O2+Molecular Weight: 153.158560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JACPDLJUQLKABC-UHFFFAOYSA-O

• Methyl Cyclopropane Carboxylate
IUPAC Name: methyl cyclopropanecarboxylate | CAS Registry Number: 2868-37-3
Synonyms: Methyl cyclopropanecarboxylate, MCPC, M40405_ALDRICH, 482110_ALDRICH, Cyclopropanecarboxylic acid, methyl ester, EINECS 220-690-9, ZINC00164516, AI3-27233, LS-58754

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

InChIKey: PKAHQJNJPDVTDP-UHFFFAOYSA-N

• Methyl-3-cyclopentene-1-carboxylate
IUPAC Name: methyl cyclopent-3-ene-1-carboxylate | CAS Registry Number: 58101-60-3
Synonyms: Methyl 3-cyclopentenecarboxylate, Methyl Cyclopent-3-ene-1-carboxylate, Methyl cyclopent-3-enecarboxylate, AG-G-05437, METHYL-3-CYCLOPENTENE-1-CARBOXYLATE, AC1LTSWU, ACMC-209m2j, SureCN637275, Methyl3-cyclopentenecarboxylate, CTK5A7852, MolPort-000-004-597, 4-(Methoxycarbonyl)cyclopent-1-ene, ACN-S004307, Methyl3-cyclopentene-1-carboxylate;, AC-589, ANW-32873, GEO-02841, ZINC01435881, AKOS006280752, AK-47556

Molecular Formula: C7H10O2Molecular Weight: 126.153100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CEOILRYKIJRPBZ-UHFFFAOYSA-N

• Methylurea
IUPAC Name: methylurea | CAS Registry Number: 598-50-5
Synonyms: N-Methylurea, METHYLUREA, Monomethylurea, Urea, methyl-, 1-Methylurea, Methyl urea, urea, N-methyl-, Methylmocovina [Czech], Methylharnstoff [German], M86804_ALDRICH, CCRIS 9137, 67090_FLUKA, EINECS 209-935-0, AIDS003653, AIDS-003653, c1176, ZINC05209166, AI3-15088, LS-160454, C16363

Molecular Formula: C2H6N2OMolecular Weight: 74.081840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: XGEGHDBEHXKFPX-UHFFFAOYSA-N

• N,N'-Dimethyl-1,2-Ethanediamine
IUPAC Name: N,N'-dimethylethane-1,2-diamine | CAS Registry Number: 110-70-3
Synonyms: 2,5-Diazahexane, Dimethylethylenediamine, N,N'-Dimethylethylenediamine, 1,2-Bis(methylamino)ethane, sym-Dimethylethylenediamine, N,N'-Dimethyldiaminoethane, N,N'-Dimethylethanediamine, 1,2-Ethanediamine, N,N'-dimethyl-, D157805_ALDRICH, ETHYLENEDIAMINE, N,N'-DIMETHYL-, 270032_ALDRICH, N,N'-Dimethyl-1,2-ethanediamine, EINECS 203-793-3, CID8070, N,N'-dimethylethane-1,2-diamine, AIDS018830, AIDS-018830, BRN 0878142, 1,2-Ethanediamine, N1,N2-dimethyl-, AI3-26668

Molecular Formula: C4H12N2Molecular Weight: 88.151480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: KVKFRMCSXWQSNT-UHFFFAOYSA-N

• N,N-Dimethylformamide dimethyl acetal
IUPAC Name: 1,1-dimethoxy-N,N-dimethylmethanamine | CAS Registry Number: 4637-24-5
Synonyms: 1,1-Dimethoxytrimethylamine, Trimethylamine, 1,1-dimethoxy-, Dimethylformamide-dimethylacetal, 140732_ALDRICH, 394963_ALDRICH, Methanamine, 1,1-dimethoxy-N,N-dimethyl-, EINECS 225-063-3, 1,1-dimethoxy-N,N-dimethylmethanamine, 1,1-Dimethoxy-N,N-dimethylmethylamine, SB 00604, TL8003205, D-5200, InChI=1/C5H13NO2/c1-6(2)5(7-3)8-4/h5H,1-4H

Molecular Formula: C5H13NO2Molecular Weight: 119.162220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZSXGLVDWWRXATF-UHFFFAOYSA-N

• N-Boc-4-Carbethoxy Piperidine
IUPAC Name: 1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate | CAS Registry Number: 142851-03-4
Synonyms: Ethyl N-Boc-piperidine-4-carboxylate, 1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate, Dimethylethyl piperidinedicarboxylic acid ethyl ester, ethyl 1-boc-piperidine-4-carboxylate, SBB054002, 1-Boc-piperidine-4-carboxylicacidethylester, 1-(tert-butyl) 4-ethyl tetrahydro-1,4(2h)-pyridinedicarboxylate, 1-boc-piperidine-4-carboxylic acid ethyl ester, Ethyl 1-tert-Butoxycarbonylpiperidine-4-carboxylate, Piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester, ethyl 1-[(tert-butyl)oxycarbonyl]piperidine-4-carboxylate, ZINC00153435, AC1MBYZW, PubChem11350, PubChem11465, ethyl n-boc-isonipecotate, ACMC-209cp6, SureCN337418, 1-boc-4-carbethoxypiperidine, KSC174E9F

Molecular Formula: C13H23NO4Molecular Weight: 257.326020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MYHJCTUTPIKNAT-UHFFFAOYSA-N

• N-Boc-Piperidine-4-carboxylic acid methyl ester
IUPAC Name: 1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate | CAS Registry Number: 124443-68-1
Synonyms: NSC693923, AIDS151872, AIDS-151872, ALBB-006379, ZINC01433131, NCI60_033612, 1-tert-Butyl 4-methyl 1,4-piperidinedicarboxylate, 9W-0607, 1-tert-butyl 4-methyl piperidine-1,4-dicarboxylate

Molecular Formula: C12H21NO4Molecular Weight: 243.299440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: PTZNCCIULVXFIJ-UHFFFAOYSA-N

• Ortho Amino Para Picoline
IUPAC Name: 6-methylpyridin-2-amine | CAS Registry Number: 1824-81-3
Synonyms: 6-Amino-2-picoline, 2-Amino-6-picoline, 2-Amino-6-methylpyridine, 2-Pyridinamine, 6-methyl-, 2-Picoline, 6-amino-, 6-Methyl-2-pyridinamine, 6-Methyl-2-pyridylamine, 6-Amino-2-methylpyridine, 6-Methyl-2-aminopyridine, 6-methylpyridin-2-amine, WLN: T6NJ BZ F1, A75706_ALDRICH, PYRIDINE, 2-AMINO-6-METHYL-, NSC 1488, NSC 6971, EINECS 217-360-1, 2-Picoline, 6-amino- (8CI), NSC1488, NSC6971, BRN 0107048

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QUXLCYFNVNNRBE-UHFFFAOYSA-N

• Paeoniflorin
Synonyms: Paeonia moutan, Paeony root, Ambap3981, AIDS002238, AIDS-002238, NSC178886, C09959, .beta.-D-Glucopyranoside, (1aR,2S,3aR,5R,5aR,5bS)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl

Molecular Formula: C23H28O11Molecular Weight: 480.461820 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 11

InChIKey: YKRGDOXKVOZESV-WRJNSLSBSA-N

• Phenyl vinyl sulfone
IUPAC Name: ethenylsulfonylbenzene | CAS Registry Number: 5535-48-8
Synonyms: Sulfone, phenyl vinyl, vinylsulfonyl-benzene, Phenyl vinyl sulphone, Benzene, (ethenylsulfonyl)-, 241717_ALDRICH, 79292_FLUKA, 79293_FLUKA, URI 744, NSC35394, EINECS 226-890-2, ZINC00391881, TL8006881

Molecular Formula: C8H8O2SMolecular Weight: 168.212920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UJTPZISIAWDGFF-UHFFFAOYSA-N

• Puerarin
IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | CAS Registry Number: 3681-99-0
Synonyms: NPI-31G, P5555_SIGMA, 82435_FLUKA, CID5281807, C10524, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one

Molecular Formula: C21H20O9Molecular Weight: 416.378100 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 9

InChIKey: HKEAFJYKMMKDOR-VPRICQMDSA-N

• Pyridine-3,4-dicarboxylic anhydride
IUPAC Name: furo[3,4-c]pyridine-1,3-dione | CAS Registry Number: 4664-08-8
Synonyms: Cinchomeronic anhydride, 3,4-Pyridinedicarboxylic anhydride, 282715_ALDRICH, Furo[3,4-c]pyridine-1,3-dione, NSC127964, AIDS046721, AIDS-046721, RDP 00107, ZINC08100888, EC-000.1422, AC-907/25014353

Molecular Formula: C7H3NO3Molecular Weight: 149.103620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KFKMGUPDWTWQFM-UHFFFAOYSA-N

• Salvianolic acid B
IUPAC Name: 3-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-4-[(E)-3-[(2R)-3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carbonyl]oxypropanoic acid | CAS Registry Number: 115939-25-8
Synonyms: Lithospermic acid B, CID6441188, C076944, (2R-(2alpha,3beta(R*),4(E(R*))))-3-(1-Carboxy-2-(3,4-dihydroxyphenyl)ethyl) 4-(3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylate, 3-Benzofurancarboxylic acid, 4-(3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, 3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethyl) ester, (2R-(2alpha,3beta(R*),4(E(R*))))-

Molecular Formula: C36H30O16Molecular Weight: 718.613800 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 16

InChIKey: SNKFFCBZYFGCQN-RDHSGEKBSA-N

• tert-Butyl carbamate
IUPAC Name: tert-butyl carbamate | CAS Registry Number: 4248-19-5
Synonyms: Boc-amide, T-butyl carbamate, 167398_ALDRICH, 21759_FLUKA, Carbamic acid, 1,1-dimethylethyl ester, CID77922, EINECS 224-209-3, NSC131089, ZINC00388418, TL8003021, BOC

Molecular Formula: C5H11NO2Molecular Weight: 117.146340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LFKDJXLFVYVEFG-UHFFFAOYSA-N

• Ursolic acid
IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | CAS Registry Number: 77-52-1
Synonyms: Prunol, Malol, Urson, Merotaine, 3-epi-ursolic acid, .beta.-Ursolic acid, Prestwick3_000089, CCRIS 7123, BSPBio_000018, MLS000728569, MLS002154196, U6753_SIGMA, NSC4060, BPBio1_000020, CHEBI:9908, 3beta-Hydroxyurs-12-en-28-oic acid, NSC 4060, 89797_FLUKA, EINECS 201-034-0, TOS-BB-0966

Molecular Formula: C30H48O3Molecular Weight: 456.700320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WCGUUGGRBIKTOS-GPOJBZKASA-N

• Vinyl Sulphone
IUPAC Name: 1-ethenylsulfonylethene | CAS Registry Number: 77-77-0
Synonyms: Divinyl sulfone, Divinyl sulphone, VINYL SULFONE, Sulfone, divinyl-, Bis(ethenyl)sulfone, Ethene, 1,1'-sulfonylbis-, 1,1'-Sulphonylbisethene, Vinyl sulfone (8CI), 1,1'-sulfonyldiethylene, CCRIS 4349, V3700_ALDRICH, HSDB 2028, WLN: 1U1SW1U1, TL 797, EINECS 201-057-6, NSC 18590, NSC18590, NSC57304, BRN 1071329, ZINC01561509

Molecular Formula: C4H6O2SMolecular Weight: 118.154240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AFOSIXZFDONLBT-UHFFFAOYSA-N

• 2-Allylphenol
IUPAC Name: 2-prop-2-enylphenol | CAS Registry Number: 1745-81-9
Synonyms: 2-ALLYLPHENOL, o-Allylphenol, Phenol, o-allyl-, (2-Propenyl)phenol, 2-allylphenol sodium, 2-(2-Propenyl)phenol, Phenol, 2-(2-propenyl)-, 2-allylphenol potassium, 2-prop-2-en-1-ylphenol, Phenol, (2-propenyl)-, WLN: QR B2U1, A34805_ALDRICH, NSC 1538, EINECS 217-119-0, NSC1538, AIDS017741, BB_SC-1155, 1-ALLYL,2-HYDROXY-BENZENE, AIDS-017741, BRN 0742121

Molecular Formula: C9H10OMolecular Weight: 134.175100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QIRNGVVZBINFMX-UHFFFAOYSA-N

• 4-Hydroxy-2,6-dimethoxybenzaldehyde
IUPAC Name: 4-hydroxy-2,6-dimethoxybenzaldehyde | CAS Registry Number: 22080-96-2
Synonyms: 392936_ALDRICH, ZINC02379824, 2,6-Dimethoxy-4-hydroxybenzaldehyde, CID529894, SBB008640, FR-2359, Ethanal, 2-(4-hydroxy-2,6-dimethoxyphenyl), InChI=1/C9H10O4/c1-12-8-3-6(11)4-9(13-2)7(8)5-10/h3-5,11H,1-2H

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HZWPJAZIRZFCGX-UHFFFAOYSA-N

• 2,2'-Bithiophene
IUPAC Name: 2-thiophen-2-ylthiophene | CAS Registry Number: 492-97-7
Synonyms: Dithienyl, 2,2'-Bithienyl, 2,2'-Dithienyl, 2,2'-Dithiophene, 241636_ALDRICH, 15267_FLUKA, CHEBI:36821, CID68120, EINECS 207-767-2, SBB012366, ZINC00108094

Molecular Formula: C8H6S2Molecular Weight: 166.263240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: OHZAHWOAMVVGEL-UHFFFAOYSA-N

• 4-Azaindole
IUPAC Name: 1H-pyrrolo[3,2-b]pyridine | CAS Registry Number: 272-49-1
Synonyms: 4-AZAINDOLE, 1,4-Diazaindene, Ambad403, 1H-Pyrrolo(3,2-b)pyridine, BRN 0109683, CID9226, LS-139468, TL8002199, A-9485, 5-23-06-00303 (Beilstein Handbook Reference)

Molecular Formula: C7H6N2Molecular Weight: 118.135940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XWIYUCRMWCHYJR-UHFFFAOYSA-N

• 4-Amino-3-chlorobenzonitrile
IUPAC Name: 4-amino-3-chlorobenzonitrile | CAS Registry Number: 21803-75-8
Synonyms: 519596_ALDRICH, ZINC00157168, CID519896, SEW 01283, D1251

Molecular Formula: C7H5ClN2Molecular Weight: 152.581000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OREVCMGFYSUYPX-UHFFFAOYSA-N

• 4-Chlorothiobenzamide
IUPAC Name: 4-chlorobenzenecarbothioamide | CAS Registry Number: 2521-24-6
Synonyms: p-Chlorobenzothiamide, p-Chlorothiobenzamide, WLN: SUYZR DG, Benzamide, p-chlorothio-, Benzenecarbothioamide, 4-chloro-, Benzamide, p-chlorothio- (8CI), AIDS009544, AIDS-009544, NSC179795, NSC195318, SBB016508, ZINC00164471, NSC 179795, NSC 195318, Benzenecarbothioamide, 4-chloro- (9CI)

Molecular Formula: C7H6ClNSMolecular Weight: 171.647240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: OKPUICCJRDBRJT-UHFFFAOYSA-N

• 2,5-Di(trifluoromethyl)aniline
IUPAC Name: 2,5-bis(trifluoromethyl)aniline | CAS Registry Number: 328-93-8
Synonyms: Enamine_005232, 331546_ALDRICH, 15228_FLUKA, 2,5-Bis(trifluoromethyl)aniline, ZINC00120651, CID719818, SBB000691, IDI1_007819

Molecular Formula: C8H5F6NMolecular Weight: 229.122419 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: XWMVIJUAZAEWIE-UHFFFAOYSA-N

• 3-(3-Fluorophenyl)propionic acid
IUPAC Name: 3-(3-fluorophenyl)propanoic acid | CAS Registry Number: 458-45-7
Synonyms: 3-(3-fluorophenyl)propanoic acid, 3-Fluorohydrocinnamic acid, 3-(3-Fluoro-phenyl)-propionic acid, SBB010231, AG-F-58474, ZERO/004851, PubChem13947, AC1MC7DZ, ACMC-209k4f, SureCN334758, 655252_ALDRICH, AC1Q758V, Benzenepropanoic acid,3-fluoro-, CTK4I8973, MolPort-000-155-904, 3-(3-fluorophenyl)-propanoic acid, AC1Q7585, ANW-30349, GEO-01431, STK689316

Molecular Formula: C9H9FO2Molecular Weight: 168.164963 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UBLMRADOKLXLCD-UHFFFAOYSA-N

• 4-Iodo-1-tritylimidazole
IUPAC Name: 5-iodo-1H-imidazole | CAS Registry Number: 71759-89-2
Synonyms: 4-Iodoimidazole, sFtHEQVILimKP@, 4(5)-Iodoimidazole, 4-Iodo-1H-imidazole, 4-Iodo-1(H)-imidazole, ZINC01095270, ZINC04244878, I2351G1, SL-02565, TL8006627

Molecular Formula: C3H3IN2Molecular Weight: 193.973790 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BHCMXJKPZOPRNN-UHFFFAOYSA-N

• 2-Methyl-2-Propanethiol
IUPAC Name: 2-methylpropane-2-thiol | CAS Registry Number: 75-66-1
Synonyms: tert-Butanethiol, tert-Butylthiol, t-Butylmercaptan, 2-Isobutanethiol, tert-Butyl mercaptan, tert-Butylmercaptan, 2-Propanethiol, 2-methyl-, 2-Methyl-2-propanethiol, 2-Methylpropane-2-thiol, tertiary-Butyl mercaptan, 1,1-Dimethylethanethiol, T-BUTYL MERCAPTAN, HSDB 1611, 109207_ALDRICH, 20230_FLUKA, EINECS 200-890-2, CID6387, BRN 0505947, NSC229569, ZINC04706566

Molecular Formula: C4H10SMolecular Weight: 90.187200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WMXCDAVJEZZYLT-UHFFFAOYSA-N

• 4-trifluoromethyl thiobenzamide
IUPAC Name: 4-(trifluoromethyl)benzenecarbothioamide | CAS Registry Number: 72505-21-6
Synonyms: 4-(Trifluoromethyl)thiobenzamide, Maybridge1_006395, 4-(Trifluoromethyl)benzenecarbothioamide, ZINC00076923, RF 03219, T293, TL8005066

Molecular Formula: C8H6F3NSMolecular Weight: 205.200150 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IPRFNMJROWWFBH-UHFFFAOYSA-N

• 2-Methyl-5-Nitrobenzoic acid
IUPAC Name: 2-methyl-5-nitrobenzoic acid | CAS Registry Number: 1975-52-6
Synonyms: 5-Nitro-o-toluic acid, Ambap1570, 2-METHYL-5-NITROBENZOIC ACID, 638307_ALDRICH, Benzoic acid, 2-methyl-5-nitro-, EINECS 217-829-0, LS-977, ST5405392, TL8001620

Molecular Formula: C8H7NO4Molecular Weight: 181.145480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: DJRFJAVPROZZFL-UHFFFAOYSA-N

• 3,5-Dichloroacetophenone
IUPAC Name: 1-(3,5-dichlorophenyl)ethanone | CAS Registry Number: 14401-72-0
Synonyms: 3',5'-Dichloroacetophenone, 1-(3,5-dichlorophenyl)ethanone, 1-acetyl-3,5-dichlorobenzene, 1-(3,5-dichlorophenyl)ethan-1-one, Ethanone, 1-(3,5-dichlorophenyl)-, SBB055399, ZINC04254315, PubChem3389, AC1MBXAH, SureCN111207, CTK4C3898, MolPort-000-153-934, ACT00188, Ethanone,1-(3,5-dichlorophenyl)-, ANW-53798, AKOS006345269, 1-[3,5-bis(chloranyl)phenyl]ethanone, AB02007, AG-A-46527, AG-D-86899

Molecular Formula: C8H6Cl2OMolecular Weight: 189.038640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JGMBBKVZFUHCJC-UHFFFAOYSA-N

• 3-Nitro-O-Cresol
IUPAC Name: 2-methyl-3-nitrophenol | CAS Registry Number: 5460-31-1
Synonyms: 2-Methyl-3-nitrophenol, 3-Nitro-o-cresol, Phenol, 2-methyl-3-nitro-, 2-Hydroxy-6-nitrotoluene, 6-Hydroxy-2-nitrotoluene, 106941_ALDRICH, 3-NITRO-2-METHYL PHENOL, NSC25009, EINECS 226-739-0, SBB008485, ZINC00163570, FR-2158, TL8003577, InChI=1/C7H7NO3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H

Molecular Formula: C7H7NO3Molecular Weight: 153.135380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GAKLFAZBKQGUBO-UHFFFAOYSA-N

• 4-Cyanobenzoic Acid Methyl Ester
IUPAC Name: methyl 4-cyanobenzoate | CAS Registry Number: 1129-35-7
Synonyms: Methyl 4-cyanobenzoate, 230634_ALDRICH, 4-Cyanobenzoic acid methyl ester, EINECS 214-443-4, Benzoic acid, p-cyano-, methyl ester, Benzoic acid, 4-cyano-, methyl ester, ZINC00155229, LS-184908, ST5407998, AC-907/25014377, InChI=1/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,1H

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: KKZMIDYKRKGJHG-UHFFFAOYSA-N

• 2-(2-Hydroxyphenyl)benzothiazole
IUPAC Name: (6Z)-6-(3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,4-dien-1-one | CAS Registry Number: 3411-95-8
Synonyms: Phenol, o-2-benzothiazolyl-, o-(2-Benzothiazolyl)phenol, CBDivE_013931, Phenol, 2-(2-benzothiazolyl)-, 2-(o-Hydroxyphenyl)benzothiazole, FR-0836, EU-0052256, A2141/0089889, InChI=1/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15

Molecular Formula: C13H9NOSMolecular Weight: 227.281660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NSDGEQWRYXOZLN-LCYFTJDESA-N

• 3-Methoxy-5-(Trifluoromethyl)Aniline
IUPAC Name: 3-methoxy-5-(trifluoromethyl)aniline | CAS Registry Number: 349-55-3
Synonyms: 5-Trifluoromethyl-4-anisidine, 196932_ALDRICH, 5-(Trifluoromethyl)-m-anisidine, 3-Amino-5-methoxybenzotrifluoride, EINECS 206-487-8, SBB000295, ZINC00119848, 3-Methoxy-5-(trifluoromethyl)aniline, FR-2394, 5-Methoxy-alpha,alpha,alpha-trifluoro-m-toluidine, 5-Methoxy-.alpha.,.alpha.,.alpha.-trifluoro-m-toluidine

Molecular Formula: C8H8F3NOMolecular Weight: 191.150430 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: VTFGJEYZCUWSAM-UHFFFAOYSA-N

• 4-Chloro-3-fluoronitrobenzene
IUPAC Name: 1-chloro-2-fluoro-4-nitrobenzene | CAS Registry Number: 350-31-2
Synonyms: 3-Fluoro-4-chloronitrobenzene, EINECS 206-500-7, 1-Chloro-2-fluoro-4-nitrobenzene, CCRIS 9210, CID67689, Benzene, 1-chloro-2-fluoro-4-nitro-, LS-188125

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

InChIKey: CSSSAKOGRYYMSA-UHFFFAOYSA-N

• 3-Fluoro-4-nitrobenzoic Acid
IUPAC Name: 3-fluoro-4-nitrobenzoic acid | CAS Registry Number: 403-21-4
Synonyms: 3-Fluoro-4-nitrobenzoic acid, Benzoic acid, 3-fluoro-4-nitro-, NSC25749, FR-2391, TL8006986, 11P-237

Molecular Formula: C7H4FNO4Molecular Weight: 185.109363 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: WVZBIQSKLXJFNX-UHFFFAOYSA-N

• 5-Methylisophthalic acid
IUPAC Name: 5-methylbenzene-1,3-dicarboxylic acid | CAS Registry Number: 499-49-0
Synonyms: UVITIC ACID, Isophthalic acid, 5-methyl-, 641383_ALDRICH, CID68137, NSC41436, EINECS 207-881-2, SBB008429, 1,3-Benzenedicarboxylic acid, 5-methyl-, 5-Methyl-1,3-benzenedicarboxylic acid, FR-2039

Molecular Formula: C9H8O4Molecular Weight: 180.157420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: PMZBHPUNQNKBOA-UHFFFAOYSA-N

• 2-Amino-3-nitrophenol
IUPAC Name: 2-amino-3-nitrophenol | CAS Registry Number: 603-85-0
Synonyms: 3-Nitro-2-aminophenol, Phenol, 2-amino-3-nitro-, 2-Hydroxy-6-nitroaniline, CCRIS 2544, 1-Hydroxy-2-amino-3-nitrobenzene, 297003_ALDRICH, EINECS 210-060-1, ZINC04272219, LS-188167, TL8002257

Molecular Formula: C6H6N2O3Molecular Weight: 154.123440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KUCWUAFNGCMZDB-UHFFFAOYSA-N

• 6-Bromoindole-3-carboxaldehyde
IUPAC Name: 6-bromo-1H-indole-3-carbaldehyde | CAS Registry Number: 17826-04-9
Synonyms: 6-Bromo-1H-indole-3-carbaldehyde, 6-Bromo-3-formylindole, 6-bromoindole-3-carbaldehyde, 6-bromo-1H-indole-3-carboxaldehyde, AG-E-28458, ZINC02569373, PubChem7691, AC1MDRZX, ACMC-209ee9, KSC536O3D, 666416_ALDRICH, CTK4D6731, WCCLQCBKBPTODV-UHFFFAOYSA-, ELLANOVALABS 12-5305, MolPort-000-141-132, BB_NC-2468, 6-BROMINDOL-3-CARBALDEHYDE, ACN-S002826, 6-bromanyl-1H-indole-3-carbaldehyde, 6-BROMO-3-FORMYL-1H-INDOLE

Molecular Formula: C9H6BrNOMolecular Weight: 224.054040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WCCLQCBKBPTODV-UHFFFAOYSA-N

• 5-Bromo-6-hydroxy-3-pyridinecarboxylic acid
IUPAC Name: 5-bromo-6-oxo-1H-pyridine-3-carboxylic acid | CAS Registry Number: 41668-13-7
Synonyms: 5-bromo-6-hydroxynicotinic acid, 5-bromo-6-hydroxynicotinicacid, 5-Bromo-6-hydroxypyridine-3-carboxylic acid, 5-bromo-6-oxo-1H-pyridine-3-carboxylic Acid, SBB052964, 3-Pyridinecarboxylicacid, 5-bromo-1,6-dihydro-6-oxo-, 5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid, PubChem9825, zlchem 1121, ACMC-1ARBQ, AC1MC9M5, SureCN1505622, SureCN2704343, KSC235K8T, 6-Hydroxy-5-bromonicotinic acid, CTK1D5589, ZLD0589, 5-Bromo-6-hydroxy-nicotinic acid, 5-Bromo-6-hydroxynicotinic acid,, MolPort-000-140-215

Molecular Formula: C6H4BrNO3Molecular Weight: 218.004860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PQDLYKZCJBGXPQ-UHFFFAOYSA-N

• 2-Bromo-3-Fluoroanisole
IUPAC Name: 2-bromo-1-fluoro-3-methoxybenzene | CAS Registry Number: 446-59-3
Synonyms: 2-Bromo-3-fluoroanisole, 2-bromo-1-fluoro-3-methoxybenzene, 2-bromo-1-fluoro-3-methoxy-benzene, benzene, 2-bromo-1-fluoro-3-methoxy, AG-F-56569, PubChem4125, ACMC-209jzj, AC1MCV9U, SureCN1204331, KSC494A1N, 2-Bromo-3-fluoroanisole 99%, CTK3J4016, MolPort-001-771-585, ACN-S004618, ACT11625, ANW-30173, SBB093393, ZINC02510744, AKOS005255946, AC-3755

Molecular Formula: C7H6BrFOMolecular Weight: 205.024343 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RNUBPKHSQXYYCV-UHFFFAOYSA-N

• 4-Piperidinecarboxylic Acid Methyl Ester Hydrochloride
IUPAC Name: methyl piperidine-4-carboxylate | CAS Registry Number: 7462-86-4
Synonyms: Methyl isonipecotate, Methyl 4-piperidinecarboxylate, Methyl piperidin-4-carboxylate, 463485_ALDRICH, methyl piperidine-4-carboxylate, MolPort-000-004-622, CID424914, 4-Piperidinecarboxylic acid, methyl ester, BBR-008203, 4-piperidinecarboxylic acid methyl ester, TL8002313, M32003, I02-0087, I12-0048, InChI=1/C7H13NO2/c1-10-7(9)6-2-4-8-5-3-6/h6,8H,2-5H2,1H, 2971-79-1

Molecular Formula: C7H13NO2Molecular Weight: 143.183620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RZVWBASHHLFBJF-UHFFFAOYSA-N

• 2-Chloro-5-Iodobenzotrifluoride
IUPAC Name: 1-chloro-4-iodo-2-(trifluoromethyl)benzene | CAS Registry Number: 260355-20-2
Synonyms: 2-Chloro-5-iodobenzotrifluoride, 1-Chloro-4-iodo-2-(trifluoromethyl)benzene, SureCN734688, KSC917M7P, CTK8B7677, 4-chloro-3-trifluoromethyliodobenzene, ANW-58162, AKOS005254961, AM61408, AK-87193, KB-22524, KB-190789, C2196, M-1251, Benzene, 1-chloro-4-iodo-2-(trifluoromethyl)-, I01-8327

Molecular Formula: C7H3ClF3IMolecular Weight: 306.451400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MCIFWVOVVPVBRJ-UHFFFAOYSA-N

• 1-Bromonaphthalene
IUPAC Name: 1-bromonaphthalene | CAS Registry Number: 90-11-9
Synonyms: Naphthalene, 1-bromo-, 1-Naphthyl bromide, 1-BROMONAPHTHALENE, alpha-Bromonaphthalene, .alpha.-Bromonaphthalene, alpha-Naphthyl bromide, .alpha.-Naphthyl bromide, 1-Bromonaphthalene solution, B73104_ALDRICH, NSC 6551, 17640_FLUKA, 17650_FLUKA, EINECS 201-965-2, NSC6551, BRN 1906414, AI3-02271, LS-94439, ST5406316, 4-05-00-01665 (Beilstein Handbook Reference), InChI=1/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7

Molecular Formula: C10H7BrMolecular Weight: 207.066580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: DLKQHBOKULLWDQ-UHFFFAOYSA-N

• 3-Chloro-2-nitroaniline
IUPAC Name: 3-chloro-2-nitroaniline | CAS Registry Number: 59483-54-4
Synonyms: 2-Nitro-3-chloroaniline, ZINC04253196, EINECS 261-782-9, CID101068, SBB008617, FR-2331, TL8003790

Molecular Formula: C6H5ClN2O2Molecular Weight: 172.569100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YADOEPHJIBKBCN-UHFFFAOYSA-N

• 1-iodododecane
IUPAC Name: 1-iodododecane | CAS Registry Number: 4292-19-7
Synonyms: n-Dodecyl iodide, Dodecyl iodide, Lauryl iodide, Dodecane, 1-iodo-, 1-IODODODECANE, Ambap2890, 238260_ALDRICH, NSC9285, NSC 9285, EINECS 224-293-1

Molecular Formula: C12H25IMolecular Weight: 296.231370 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: GCDPERPXPREHJF-UHFFFAOYSA-N

• 3-Cyclopentene-1,1-Dicarboxylic Acid Dimethyl Ester
IUPAC Name: dimethyl cyclopent-3-ene-1,1-dicarboxylate | CAS Registry Number: 84646-68-4
Synonyms: Enamine_000260, ZINC00077617, CID699253, FR-2000, Dimethyl 3-cyclopentene-1,1-dicarboxylate, ST5447310

Molecular Formula: C9H12O4Molecular Weight: 184.189180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: PQMIUYZOJQILOZ-UHFFFAOYSA-N

• 4-Hydroxy-2,6-dimethylbenzonitrile
IUPAC Name: 4-hydroxy-2,6-dimethylbenzonitrile | CAS Registry Number: 58537-99-8
Synonyms: 4-Cyano-3,5-dimethylphenol, ZINC00162654, 2,6-Dimethyl-4-hydroxybenzonitrile, CID590183, RDP 00221, FR-2365

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

InChIKey: KZEJTKHRBQWACL-UHFFFAOYSA-N

• 2-Bromo-4-Fluoro-1-Nitrobenzene
IUPAC Name: 2-bromo-4-fluoro-1-nitrobenzene | CAS Registry Number: 700-36-7
Synonyms: 2-Bromo-4-fluoro-1-nitrobenzene, 2-bromo-4-fluoronitrobenzene, 1-Bromo-5-fluoro-2-nitrobenzene, 3-bromo-1-fluoro-4-nitrobenzene, 4-fluoro-2-bromonitrobenzene, 4-fluoro-2-bromo nitrobenzene, SBB063661, Benzene, 2-bromo-4-fluoro-1-nitro-, ZINC02569269, zlchem 479, PubChem4277, ACMC-1BKFY, AC1MBUU5, SureCN40024, KSC376Q9B, CTK2H6890, ZLC0344, MolPort-000-152-084, WT331, 2-Bromo-4-fluoro-1-nitrobenzene,

Molecular Formula: C6H3BrFNO2Molecular Weight: 219.995923 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VGYVBEJDXIPSDL-UHFFFAOYSA-N


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