Changzhou Dexiang Fine-Chemtech

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Profile: Changzhou Dexiang Fine-Chemtech is a producer of heterocyclic & fluorine chemicals, synthesis flavors and chiral intermediates. Our heterocycle chemicals include ethyl 4-pyarazolecarboxylate, 3-furaldehyde, ((3-(5-nitro-2-furyl)-1-(2-(5-nitro-2-furyl)vinyl)allallylidene)amino)guani dine, 2-ethyl-4-hydroxy-5-methyl-3(2H)-furanone, 2-chloroadenine and 4-bromoindole. We offer benzene series such as ethyl -2-hydroxyisobutyrate, 3-cyanobenzoic acid, 4-cyanobenzaldehyde, 4-nitrobenzyl alcohol, 2-aminobenzonitrile, 4-methylbenzyl alcohol, 4-nitobenzyl bromide, 3-methylbenzyl chloride and methyl 3-cyanobenzoate.

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• Celestolide
IUPAC Name: 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone | CAS Registry Number: 13171-00-1
Synonyms: CELESTOLIDE, FEMA No. 3653, EINECS 236-114-4, BB_NC-0275, 4-Acetyl-6-butyl-1,1-dimethylindane, CID61585, ZINC03881431, 4-Acetyl-6-tert-butyl-1,1-dimethylindane, AI3-28573, LS-2539, 4-Acetyl-6-tert-butyl-1,1-dimethyl indan, SB 01378, 6-tert-Butyl-1,1-dimethyl-4-indanyl methyl ketone, 6-tert-Butyl-1,1-dimethylindan-4-yl methyl ketone, Ketone, 6-tert-butyl-1,1-dimethyl-4-indanyl methyl, SR-01000639907-1, 1-(6-(1,1-Dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl)ethanone, Ethanone, 1-(6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl)-, Ethanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-, 88401-65-4

Molecular Formula: C17H24OMolecular Weight: 244.371860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IKTHMQYJOWTSJO-UHFFFAOYSA-N

• Diethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
IUPAC Name: diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 1149-23-1
Synonyms: Diludine, Ethidine, Hantzsch ester, Diethone, Etidin, diludin, ethidin, Hantzsch's dihydropyridine, DM-DEOC-DHP, Maybridge1_005647, ChemDiv2_005231, Oprea1_780789, MLS000060889, MLS000737519, DivK1c_001935, 120227_ALDRICH, NSC 3344, C13H19NO4, EINECS 214-561-6, ZERO/000548

Molecular Formula: C13H19NO4Molecular Weight: 253.294260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LJXTYJXBORAIHX-UHFFFAOYSA-N

• Ethyl 4-pyrazolecarboxylate
IUPAC Name: ethyl 1H-pyrazole-4-carboxylate | CAS Registry Number: 37622-90-5
Synonyms: 4-Acetylpyrazole, Ethyl 1H-pyrazole-4-carboxylate, 300780_ALDRICH, CID142179, ZINC00409316, TL8002769

Molecular Formula: C6H8N2O2Molecular Weight: 140.139920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KACZQOKEFKFNDB-UHFFFAOYSA-N

• Ethyl Isonicotinate N-Oxide
IUPAC Name: ethyl 1-oxidopyridin-1-ium-4-carboxylate | CAS Registry Number: 14906-37-7
Synonyms: AC1MVDSS, SureCN4873097, CTK4C6027, AKOS004896820, AG-D-94980, ethyl 1-oxidopyridin-1-ium-4-carboxylate, 4-Pyridinecarboxylicacid, ethyl ester, 1-oxide, I14-37228, Isonicotinicacid, ethyl ester, 1-oxide (6CI,8CI);4-Carbethoxypyridine 1-oxide;4-Ethoxycarbonylpyridine N-oxide;Ethyl isonicotinate 1-oxide;Ethylisonicotinate N-oxide;Ethyl isonicotinate oxide;Ethyl pyridine-4-carboxylateN-oxide;

Molecular Formula: C8H9NO3Molecular Weight: 167.161960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DPWRGNWJVVSVIE-UHFFFAOYSA-N

• Hexylresorcinol
IUPAC Name: 4-hexylbenzene-1,3-diol | CAS Registry Number: 136-77-6
Synonyms: hexylresorcinol, 4-Hexylresorcinol, Antascarin, Ascaricid, Ascarinol, Crystoids, Caprokol, Adrover, Hidesol, Prensol, Sucrets, Oxana, p-Hexylresorcinol, 4-Hexylresorcine, Hexylresorzin, Gelovermin, 4-n-Hexylresorcinol, Ascaryl, Hexylresorcinolum, Worm-agen

Molecular Formula: C12H18O2Molecular Weight: 194.270120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: WFJIVOKAWHGMBH-UHFFFAOYSA-N

• M-Trifluoromethy-P-Nitro-Aniline
IUPAC Name: 4-nitro-3-(trifluoromethyl)aniline | CAS Registry Number: 393-11-3
Synonyms: 5-Amino-2-nitrobenzotrifluoride, A68807_ALDRICH, 4-Nitro-3-(trifluoromethyl)aniline, 08875_FLUKA, 3-Trifluoromethyl-4-nitroanilide, 4-Nitro-3-trifluoromethylaniline, NSC10323, Benzenamine, 4-nitro-3-(trifluoromethyl)-, EINECS 206-884-6, NSC 10323, SBB006652, ZINC03888984, FR-2278, AI3-26188, ST5135054, TL8002837, 4-Nitro-alpha,alpha,alpha-trifluoro-m-toluidine

Molecular Formula: C7H5F3N2O2Molecular Weight: 206.122010 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: UTKUVRNVYFTEHF-UHFFFAOYSA-N

• Methyl 2-(Chlorosulfonyl)Benzoate
IUPAC Name: methyl 2-chlorosulfonylbenzoate | CAS Registry Number: 26638-43-7
Synonyms: Methyl 2-(chlorosulfonyl)benzoate, CID117830, FS000807, SB 00929, 2-chlorosulfonyl-benzoic acid methyl ester, Benzoic acid, 2-(chlorosulfonyl)-, methyl ester

Molecular Formula: C8H7ClO4SMolecular Weight: 234.656780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: HUNUAFNLLYVTQD-UHFFFAOYSA-N

• Methyl 3-amino-6-bromopyrazine-2-carboxylate
IUPAC Name: methyl 3-amino-6-bromopyrazine-2-carboxylate | CAS Registry Number: 6966-01-4
Synonyms: NSC18700, CID227251, TL8007280, methyl 3-amino-6-bromopyrazine-2-carboxylate

Molecular Formula: C6H6BrN3O2Molecular Weight: 232.034740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: CNXSIRHOIFRMOB-UHFFFAOYSA-N

• Methyl nicotinate 1-oxide
IUPAC Name: methyl 1-oxidopyridin-1-ium-3-carboxylate | CAS Registry Number: 15905-18-7
Synonyms: 1-Oxy-nicotinic acid methyl ester, AJ-333/25006108, methyl 1-hydroxypyridine-3-carboxylate, AC1L38XU, AC1Q221X, SCHEMBL2818943, CTK4C9931, MolPort-000-165-677, AR-1J6067, SBB086899, ZINC00334937, AKOS004896821, SC-33306, methyl 1-oxidopyridin-1-ium-3-carboxylate, ST51042348, 3-Pyridinecarboxylicacid, methyl ester, 1-oxide

Molecular Formula: C7H7NO3Molecular Weight: 153.135380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RVBKAFFMAQAFGK-UHFFFAOYSA-N

• N-Benzyl piperidine-4-carboxaldehyde
IUPAC Name: 1-(phenylmethyl)piperidine-4-carbaldehyde | CAS Registry Number: 22065-85-6
Synonyms: ZERO/005913, 1-Benzylpiperidine-4-carbaldehyde, 664081_ALDRICH, N-Benzylpiperidine-4-carboxaldehyde, ALBB-006394, CID89584, EINECS 244-757-7

Molecular Formula: C13H17NOMolecular Weight: 203.280180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SGIBOXBBPQRZDM-UHFFFAOYSA-N

• 4-Aminonicotinic acid
IUPAC Name: 4-aminopyridine-3-carboxylic acid | CAS Registry Number: 7418-65-7
Synonyms: 4-aminonicotinic acid, 4-Amino-nicotinic acid, 4-Amino Nicotinic Acid, TPC-PY092, 4-Amino-3-pyridinecarboxylic acid, 11585_FLUKA, NSC266130, ZINC00333065, ST5211895, TL8005122, AF-807/00322021

Molecular Formula: C6H6N2O2Molecular Weight: 138.124040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: IASBMUIXBJNMDW-UHFFFAOYSA-N

• 5-Iodo-2,4-dimethoxypyrimidine
IUPAC Name: 5-iodo-2,4-dimethoxypyrimidine | CAS Registry Number: 52522-99-3
Synonyms: NCIOpen2_006655, I8766_SIGMA, 457426_ALDRICH, 5-iodo-2,4-dimethoxypyrimidine, 2,4-Dimetthoxy-5-iodopyrimidine, AIDS225906, AIDS-225906, NSC97838, ZINC00403001, 5-Iodo-2,4-dimethoxy- pyrimi- dine

Molecular Formula: C6H7IN2O2Molecular Weight: 266.036450 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KNTMOGOYRYYUIE-UHFFFAOYSA-N

• 2-Nitrophenethyl alcohol
IUPAC Name: 2-(2-nitrophenyl)ethanol | CAS Registry Number: 15121-84-3
Synonyms: 2-Nitrobenzeneethanol, Nitrophenylethanol, Benzeneethanol, 2-nitro-, 2-(2-Nitrophenyl)ethanol, 2-(o-Nitrophenyl)ethanol, O-NITROPHENETHYL ALCOHOL, ar-Nitrophenethyl alcohol, Phenethyl alcohol, o-nitro-, Benzeneethanol, ar-nitro-, CCRIS 6078, 2-(o-Nitrophenyl)ethyl alcohol, 183474_ALDRICH, EINECS 239-178-1, BRN 2092464, EINECS 273-447-4, LS-883, AI3-36271, NCGC00090875-01, 3-06-00-01714 (Beilstein Handbook Reference), InChI=1/C8H9NO3/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,10H,5-6H

Molecular Formula: C8H9NO3Molecular Weight: 167.161960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SLRIOXRBAPBGEI-UHFFFAOYSA-N

• 2,5-Dimethylpyrazine
IUPAC Name: 2,5-dimethylpyrazine | CAS Registry Number: 123-32-0
Synonyms: Pyrazine, 2,5-dimethyl-, 2,5-DIMETHYLPYRAZINE, 2,5-Dimethylpiazine, 2,5-Dimethylparadiazine, 2,5-Dimethyl pyrazine, 2,5-Dimethyl-1,4-diazine, FEMA No. 3272, CCRIS 2929, 2,5-Dimethylpyrazine (natural), W327204_ALDRICH, PYRAZINE,2,5-DIMETHYL, 175420_ALDRICH, 41535_FLUKA, EINECS 204-618-3, WLN: T6N DNJ B1 E1, NSC 49139, NSC49139, ZINC00003182, AI3-60303, LS-2694

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LCZUOKDVTBMCMX-UHFFFAOYSA-N

• 2-Amino-4-bromobenzoic acid
IUPAC Name: 2-amino-4-bromobenzoic acid | CAS Registry Number: 20776-50-5
Synonyms: Ambap1224, 664863_ALDRICH, EINECS 244-025-7, CID88691, NCGC00171016-01, TL8001716, PK04_096199

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

InChIKey: BNNICQAVXPXQAH-UHFFFAOYSA-N

• 4-Cyanobenzylamine
IUPAC Name: 4-(aminomethyl)benzonitrile | CAS Registry Number: 10406-25-4
Synonyms: 4-(Aminomethyl)benzonitrile, EINECS 233-877-5, TL8000172, VT-00597701

Molecular Formula: C8H8N2Molecular Weight: 132.162520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LFIWXXXFJFOECP-UHFFFAOYSA-N

• 1-N-Boc-Piperazine
IUPAC Name: tert-butyl piperazine-1-carboxylate | CAS Registry Number: 57260-71-6
Synonyms: 1-Boc-piperazine, 1-N-Boc-piperazine, t-Butyl 1-piperazincarboxylate, N-t-Butoxycarbonylpiperazine, t-Butyl 1-piperaziencarboxylate, 343536_ALDRICH, ARONIS005638, tert-butyl piperazine-1-carboxylate, 15502_FLUKA, ST5210645, TL8003687, 1-piperazinecarboxylic acid, 1,1-dimethylethyl ester, InChI=1/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H

Molecular Formula: C9H18N2O2Molecular Weight: 186.251420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CWXPZXBSDSIRCS-UHFFFAOYSA-N

• 2-Trifluoromethylbenzylsulfonyl chloride
IUPAC Name: 2-(trifluoromethyl)benzenesulfonyl chloride | CAS Registry Number: 85952-32-5
Synonyms: 491624_ALDRICH, 2-Trifluoromethylbenzenesulfonyl chloride, o-Trifluoromethylbenzenesulfonyl chloride, 2-Trifluoromethylbenzenesulphonyl chloride, RF 02653, T310, 2-(Trifluoromethyl)benzenesulfonyl chloride, 776-04-5

Molecular Formula: C7H4ClF3O2SMolecular Weight: 244.618670 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ZIZGWNOAHUCACM-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

• 1,4 Bis(3-Aminopropyl) Piperazine
IUPAC Name: 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine | CAS Registry Number: 7209-38-3
Synonyms: Bis(aminopropyl)piperazine, 1,4-Bis(3-aminopropyl)piperazine, 1,4-Piperazinedipropanamine, CCRIS 8915, 239488_ALDRICH, N,N'-Bis(p-aminopropyl)piperazine, N,N'-Bis(3-aminopropyl)piperazine, EINECS 230-589-1, CID81629, 3,3'-piperazine-1,4-diyldipropan-1-amine, LS-184957, ST5319829

Molecular Formula: C10H24N4Molecular Weight: 200.324360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: XUSNPFGLKGCWGN-UHFFFAOYSA-N

• 5-Bromo-2-chloropyrimidine
IUPAC Name: 5-bromo-2-chloropyrimidine | CAS Registry Number: 32779-36-5
Synonyms: Ambap6262, 2-Chloro-5-bromopyrimidine, 596949_ALDRICH, 47149_FLUKA, ALBB-006331, ZINC01529074, B2217G5, TL8002470, AA-516/30054033

Molecular Formula: C4H2BrClN2Molecular Weight: 193.429080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XPGIBDJXEVAVTO-UHFFFAOYSA-N

• 2-Chloro-4-nitropyridine
IUPAC Name: 2-chloro-4-nitropyridine | CAS Registry Number: 23056-36-2
Synonyms: 2-chlor-4-nitropyridin, Pyridine, 2-chloro-4-nitro-, AJ-333/25006257, PubChem9220, AC1Q1XCR, ACMC-1CCV7, AC1LEF95, AC1Q1I8E, 2-chloro-4-(nitro)pyridine, KSC201Q1F, 557390_ALDRICH, CTK1A1812, MolPort-000-140-021, ACN-S003224, ACT06961, ANW-25026, AR-1D9942, FC0306, SBB016178, STL227623

Molecular Formula: C5H3ClN2O2Molecular Weight: 158.542520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LIEPVGBDUYKPLC-UHFFFAOYSA-N

• 3-Hydroxy-5-chloropyridine
IUPAC Name: 5-chloropyridin-3-ol | CAS Registry Number: 74115-12-1
Synonyms: 5-Chloro-3-pyridinol, 5-Chloropyridin-3-ol, 5-Chloro-3-hydroxypyridine, 218006_ALDRICH, ZINC00164486, EINECS 277-727-7, CID582305, SB 00891

Molecular Formula: C5H4ClNOMolecular Weight: 129.544360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: TUIDQYRZDZRHPQ-UHFFFAOYSA-N

• 2,4-dihydroxypyrimidine-5-carboxylic acid
IUPAC Name: 2,4-dioxo-1H-pyrimidine-5-carboxylic acid | CAS Registry Number: 23945-44-0
Synonyms: Isoorotic acid, Steviolbioside, 5-Carboxyuracil, Uracil-5-carboxylic acid, Uracil 5-carboxylate, 5-Uracilcarboxylic acid, Uracil 5-carboxylic acid, 126268_ALDRICH, ARONIS023305, CHEBI:17477, NSC1589, AIDS022720, 5-Carboxy-2,4-dihydroxypyrimidine, 2,4-Dihydroxy-5-pyrimidinecarboxylic acid, 2,4-Dihydroxypyrimidine-5-carboxylic acid, AIDS-022720, CID90301, NSC 1589, EINECS 245-947-2, SBB005851

Molecular Formula: C5H4N2O4Molecular Weight: 156.096260 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: ZXYAAVBXHKCJJB-UHFFFAOYSA-N

• 2-Fluorobenzenesulfonyl chloride
IUPAC Name: 2-fluorobenzenesulfonyl chloride | CAS Registry Number: 2905-21-7
Synonyms: 2-Fluorobenzenesulphonyl chloride, 532711_ALDRICH, ALBB-001001, ST5411832, TL8002290

Molecular Formula: C6H4ClFO2SMolecular Weight: 194.611163 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZSZKAQCISWFDCQ-UHFFFAOYSA-N

• 5-Bromo-2-nitrobenzotrifluoride
IUPAC Name: 4-bromo-1-nitro-2-(trifluoromethyl)benzene | CAS Registry Number: 344-38-7
Synonyms: 365785_ALDRICH, ZINC00056814, JRD-0124, CID136171, SBB009973, TL8002570

Molecular Formula: C7H3BrF3NO2Molecular Weight: 270.003430 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ZHLYHEDQTJZYFI-UHFFFAOYSA-N

• 3-Methyl pyridine-2-carboxylic acid
IUPAC Name: 3-methylpyridine-2-carboxylic acid | CAS Registry Number: 4021-07-2
Synonyms: 3-Methylpicolinic acid, 512362_ALDRICH, NSC109145, CID268757

Molecular Formula: C7H7NO2Molecular Weight: 137.135980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LMHIBYREWJHKNZ-UHFFFAOYSA-N

• 2-Methoxyimidazoline
IUPAC Name: 2-methoxy-4,5-dihydro-1H-imidazole | CAS Registry Number: 28118-54-9
Synonyms: 2-methoxy-4,5-dihydro-1H-imidazole, SureCN727230, AC1L882P, CTK8B6881, MolPort-003-846-745, 2-methoxy-4,5-dihydro-1H-imidazol, ANW-54728, AKOS006277008, AG-E-90008, AK-29079, KB-25018, ST51056515, A819328, S14-0723, 4,5-Dihydro-2-methoxy-1H-imidazole, (Solution in Dichloromethane), 2-Imidazoline,2-methoxy- (6CI,8CI);2-Methoxy-2-imidazoline;Lys Tag 4H;

Molecular Formula: C4H8N2OMolecular Weight: 100.119120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZJULPBMTEMGRNC-UHFFFAOYSA-N

• 2-Mercapto-4,6-Dimethyl Pyrimidine
IUPAC Name: 4,6-dimethyl-1H-pyrimidine-2-thione | CAS Registry Number: 22325-27-5
Synonyms: 4,6-Dimethyl-2-mercaptopyrimidine, 4,6-Dimethyl-2-pyrimidinethiol, 4,6-Dimethyl-2-thiopyrimidine, 4,6-Dimethylpyrimidine-2-thione, 138010_ALDRICH, 2-Mercapto-4,6-dimethylpyrimidine, 2(1H)-Pyrimidinethione, 4,6-dimethyl-, EINECS 244-911-3, 2-Pyrimidinethiol, 4,6-dimethyl-, 4,6-Dimethyl-2(1H)-pyrimidinethione, NSC15491, 2-Mercapto-4,6-dimethyl-pyrimidine, ZINC00035775, ZINC00086626, LS-135636, A0458/0021138, 13139-97-4

Molecular Formula: C6H8N2SMolecular Weight: 140.206120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: RAFAYWADRVMWFA-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-Hydroxy-2-ethyl-5-methyl-3-furanone
IUPAC Name: 2-ethyl-4-hydroxy-5-methylfuran-3-one | CAS Registry Number: 27538-10-9
Synonyms: CCRIS 6903, W362301_ALDRICH, EINECS 248-514-6, 2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone, BRN 1617449, LS-2730, 2-Ethyl-4-hydroxy-5-methylfuran-3(2H)-one, 4-Hydroxy-2-ethyl-5-methyl-3(2H)-furanone, 3(2H)-FURANONE, 2-ETHYL-4-HYDROXY-5-METHYL-, 2-ethyl-4-hydroxy-5-methyl-3(2H)-furanone (homofuraneol)

Molecular Formula: C7H10O3Molecular Weight: 142.152500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GWCRPYGYVRXVLI-UHFFFAOYSA-N

• 3-Bromo-5-chlorobenzonitrile
IUPAC Name: 3-bromo-5-chlorobenzonitrile | CAS Registry Number: 304854-55-5

Molecular Formula: C7H3BrClNMolecular Weight: 216.462420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DRKWKPSNVQVDKZ-UHFFFAOYSA-N

• 2-Chloro-5-nitrobenzotrifluoride
IUPAC Name: 1-chloro-4-nitro-2-(trifluoromethyl)benzene | CAS Registry Number: 777-37-7
Synonyms: C60406_ALDRICH, NSC9467, CID61213, NSC 9467, EINECS 212-287-1, SBB007665, ZINC00057134, 2-(Trifluoromethyl)-4-nitrochlorobenzene, 3-(Trifluoromethyl)-4-chloronitrobenzene, 4-Chloro-3-(trifluoromethyl)nitrobenzene, FR-0070, 4-Nitro-2-(trifluoromethyl)chlorobenzene, ST060471, BENZENE, 1-CHLORO-4-NITRO-2-(TRIFLUOROMETHYL)-, AI3-28914, TL8005330, Toluene, 2-chloro-.alpha.,.alpha.,.alpha.-trifluoro-5-nitro-, 2-Chloro-5-nitro-alpha,alpha,alpha-trifluorotoluene, 2-Chloro-alpha,alpha,alpha-trifluoro-5-nitrotoluene, 2-Chloro-.alpha.,.alpha.,.alpha.-trifluoro-5-nitrotoluene

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

InChIKey: HQROXDLWVGFPDE-UHFFFAOYSA-N

• 3-Methoxy-4-methyl-2-nitrobenzoic acid
IUPAC Name: 3-methoxy-4-methyl-2-nitrobenzoic acid | CAS Registry Number: 57281-77-3
Synonyms: 3-METHOXY-4-METHYL-2-NITROBENZOIC ACID, CTK5A6574, MolPort-009-197-332, ANW-51405, AKOS015851573, AG-G-01908, AK-23707, BD158005, BR-23707, Benzoic acid,3-methoxy-4-methyl-2-nitro-, m-Anisicacid, 4-methyl-2-nitro- (7CI), KB-183439, FT-0645647, W7070

Molecular Formula: C9H9NO5Molecular Weight: 211.171460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: PJEQOQBIFDMSON-UHFFFAOYSA-N

• 3-Furancarboxaldehyde
IUPAC Name: furan-3-carbaldehyde | CAS Registry Number: 498-60-2
Synonyms: 3-Furaldehyde, FURAN-3-ALDEHYDE, W501603_ALDRICH, 278866_ALDRICH, 47995_FLUKA, SBB004385, ZINC02040441, InChI=1/C5H4O2/c6-3-5-1-2-7-4-5/h1-4

Molecular Formula: C5H4O2Molecular Weight: 96.084060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AZVSIHIBYRHSLB-UHFFFAOYSA-N

• 2-Chlorobenzotrifluoride
IUPAC Name: 1-chloro-2-(trifluoromethyl)benzene | CAS Registry Number: 88-16-4
Synonyms: o-Chlorobenzotrifluoride, Chlorobenzotrifluoride, 2-Chloro-benzotrifluoride, (Trifluoromethyl)chlorobenzene, 1-Chloro-2-(trifluoromethyl)benzene, o-(Trifluoromethyl)chlorobenzene, 2-Chloro(trifluoromethyl)benzene, CCRIS 2809, o-(Trifluoromethyl)phenyl chloride, C26003_ALDRICH, Benzene, chloro(trifluoromethyl)-, Benzene, 1-chloro-2-(trifluoromethyl)-, EINECS 201-805-1, CHLORO(TRIFLUOROMETHYL)BENZENE, NSC 10307, NSC10307, 2-Chloro-alpha,alpha,alpha-trifluorotoluene, LS-1879, o-Chloro-alpha,alpha,alpha-trifluorotoluene, NCGC00091794-01

Molecular Formula: C7H4ClF3Molecular Weight: 180.554870 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DGRVQOKCSKDWIH-UHFFFAOYSA-N

• 4-Trifluoromethylbenzoic Acid
IUPAC Name: 4-(trifluoromethyl)benzoic acid | CAS Registry Number: 455-24-3
Synonyms: 4-(Trifluoromethyl)benzoic acid, Enamine_005626, 4-Carboxybenzotrifluoride, NCIOpen2_001327, 4-TRIFLUOROMETHYLBENZOIC ACID, 196894_ALDRICH, P-CARBOXYBENZOTRIFLUORIDE, 91780_FLUKA, Benzoic acid, 4-(trifluoromethyl)-, JRD-0668, NSC88327, EINECS 207-242-8, NSC 88327, SBB008571, alpha,alpha,alpha-Trifluoro-p-toluic acid, TL8002482, .alpha.,.alpha.,.alpha.-trifluoro-p-toluic acid, 3S210967, InChI=1/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13

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

InChIKey: SWKPKONEIZGROQ-UHFFFAOYSA-N

• 2-Bromo-3-Methyl Pyridine
IUPAC Name: 2-bromo-3-methylpyridine | CAS Registry Number: 3430-17-9
Synonyms: 2-bromo-3-methylpyridine, NSC4244, 448109_ALDRICH, CID220832, ZINC00152336, AC 35766, B208, TL8002555, AC-907/30003020

Molecular Formula: C6H6BrNMolecular Weight: 172.022540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PZSISEFPCYMBDL-UHFFFAOYSA-N

• 2-Chloroadenine
IUPAC Name: 2-chloro-7H-purin-6-amine | CAS Registry Number: 1839-18-5
Synonyms: Adenine, 2-chloro-, 2-Chloro-6-aminopurine, 6-Amino-2-chloropurine, 2-chloro-9H-purin-6-amine, Purine, 6-amino-2-chloro-, 1H-Purin-6-amine, 2-chloro-, AIDS024486, 9H-purin-6-amine, 2-chloro-, NSC7362, AIDS-024486, CID94904, SQ 22982, TL806347, AI3-52061, SQ 22,982, TL8001485, InChI=1/C5H4ClN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11

Molecular Formula: C5H4ClN5Molecular Weight: 169.571760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: HBJGQJWNMZDFKL-UHFFFAOYSA-N

• 4-(Trifluoromethyl)benzoyl chloride
IUPAC Name: 4-(trifluoromethyl)benzoyl chloride | CAS Registry Number: 329-15-7
Synonyms: NCIOpen2_005266, p-Trifluoromethylbenzoyl chloride, 249475_ALDRICH, p-(Trifluoromethyl)benzoyl chloride, 91840_FLUKA, p-Trifluoromethyl benzoic acid chloride, JRD-0669, NSC88292, Benzoyl chloride, 4-(trifluoromethyl)-, EINECS 206-342-9, NSC 88292, SBB003467, ZINC01847577, alpha,alpha,alpha-Trifluoro-p-toluoyl chloride, TL8002484, p-Toluoyl chloride, alpha,alpha,alpha-trifluoro-, .alpha.,.alpha.,.alpha.-Trifluoro-p-toluoyl chloride, p-Toluoyl chloride, .alpha.,.alpha.,.alpha.-trifluoro-

Molecular Formula: C8H4ClF3OMolecular Weight: 208.564970 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OXZYBOLWRXENKT-UHFFFAOYSA-N

• 5-Amino-2-bromobenzotrifluoride
IUPAC Name: 4-bromo-3-(trifluoromethyl)aniline | CAS Registry Number: 393-36-2
Synonyms: NCIOpen2_005308, 297712_ALDRICH, 4-Bromo-3-(trifluoromethyl)aniline, NSC88332, EINECS 206-885-1, ZINC00056672, 4-Bromo-3-trifluoromethyl-phenylamine, Benzenamine, 4-bromo-3-(trifluoromethyl)-, FS000998, ST5307033, TL8002839, 4-Bromo-alpha,alpha,alpha-trifluoro-m-toluidine

Molecular Formula: C7H5BrF3NMolecular Weight: 240.020510 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YGNISOAUPSJDJE-UHFFFAOYSA-N

• 2-Chloro-5-iodopyridine
IUPAC Name: 2-chloro-5-iodopyridine | CAS Registry Number: 69045-79-0
Synonyms: ZERO/006253, 498181_ALDRICH, ZINC00403308, CID4397176, TL8004834, InChI=1/C5H3ClIN/c6-5-2-1-4(7)3-8-5/h1-3

Molecular Formula: C5H3ClINMolecular Weight: 239.441490 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QWLGCWXSNYKKDO-UHFFFAOYSA-N

• 2-(Trifluoromethyl)benzenesulfonyl chloride
IUPAC Name: 2-(trifluoromethyl)benzenesulfonyl chloride | CAS Registry Number: 776-04-5
Synonyms: 491624_ALDRICH, 2-Trifluoromethylbenzenesulfonyl chloride, o-Trifluoromethylbenzenesulfonyl chloride, 2-Trifluoromethylbenzenesulphonyl chloride, RF 02653, T310, 85952-32-5

Molecular Formula: C7H4ClF3O2SMolecular Weight: 244.618670 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ZIZGWNOAHUCACM-UHFFFAOYSA-N

• 2,4'-Dichlorobenzophenone
IUPAC Name: (2-chlorophenyl)-(4-chlorophenyl)methanone | CAS Registry Number: 85-29-0
Synonyms: Ambap3432, 2,4-Dichlorobenzophenone, Benzophenone, 2,4'-dichloro-, NSC3221, AIDS017950, AIDS-017950, NSC 3221, EINECS 201-596-7, Methanone, (2-chlorophenyl)(4-chlorophenyl)-, ZINC00156625, Benzophenone, 2,4'-dichloro- (8CI), AI3-15228, TL8005577

Molecular Formula: C13H8Cl2OMolecular Weight: 251.108020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YXMYPHLWXBXNFF-UHFFFAOYSA-N

• 1-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-
IUPAC Name: 1,2,3,4-tetrahydronaphthalene-1-carbonitrile | CAS Registry Number: 56536-96-0
Synonyms: 1-Cyanotetraline, 1-Cyano tetralin, 1,2,3,4-tetrahydronaphthalene-1-carbonitrile, 1-Cyano Tetrahydronaphathalene, 1-Cyanotetralin, alpha-Cyanotetraline, PubChem20556, ACMC-209lsy, SureCN779498, AC1Q4RH8, KSC204G0P, UNII-27327TPP91, MolPort-003-987-732, 1-CYANOTETRAHYDRONAPHTHALENE, ANW-32528, AKOS009156517, AG-A-09519, 1-Cyano-1,2,3,4-tetrahydronaphthalene, AK-87368, KB-65040

Molecular Formula: C11H11NMolecular Weight: 157.211740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HMRIXHRQNXHLSL-UHFFFAOYSA-N

• 3-Hydroxy Phenyl Acetic Acid
IUPAC Name: 2-(3-hydroxyphenyl)acetic acid | CAS Registry Number: 621-37-4
Synonyms: 3-Hydroxyphenylacetate, 3-Hydroxyphenylacetic acid, 3pce, 3-Hydroxybenzeneacetic acid, (3-Hydroxyphenyl)acetic acid, (m-Hydroxyphenyl)acetic acid, Metahydroxy phenylacetic acid, Ambap4430, M-HYDROXYPHENYLACETIC ACID, Benzeneacetic acid, 3-hydroxy-, Acetic acid, (m-hydroxyphenyl)-, RESORCINOL MONOACETATE, H49901_ALDRICH, 56130_FLUKA, CHEBI:17445, EINECS 210-684-4, NSC 14360, NSC14360, Benzeneacetic acid, 3-hydroxy- (9CI), Acetic acid, (m-hydroxyphenyl)- (8CI)

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

InChIKey: FVMDYYGIDFPZAX-UHFFFAOYSA-N

• 3-fluoro-4-methoxybenzaldehyde
IUPAC Name: 3-fluoro-4-methoxybenzaldehyde | CAS Registry Number: 351-54-2
Synonyms: 3-Fluoro-p-anisaldehyde, 3-Fluoro-para-anisaldehyde, 3-Fluoro-4-methoxybenzaldehyde, 155586_ALDRICH, JRD-1260, EINECS 206-514-3, ZINC01847539, T5395994

Molecular Formula: C8H7FO2Molecular Weight: 154.138383 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SOQCZBSZZLWDGU-UHFFFAOYSA-N

• 3-Amino-5-bromopyridine
IUPAC Name: 5-bromopyridin-3-amine | CAS Registry Number: 13535-01-8
Synonyms: 5-bromopyridin-3-ylamine, TPC-PY107, 667129_ALDRICH, ZINC00331807, CID817681, ST5166224, TL8000827, AC-907/30003012

Molecular Formula: C5H5BrN2Molecular Weight: 173.010600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MDQXGHBCDCOOSM-UHFFFAOYSA-N

• 3-Chlorobenzenesulphonyl chloride
IUPAC Name: 3-chlorobenzenesulfonyl chloride | CAS Registry Number: 2888-06-4
Synonyms: 3-Chlorobenzenesulfonyl chloride, 546968_ALDRICH, Benzenesulfonyl chloride, 3-chloro-, ALBB-000998, ALD-N000065, CID17909, EINECS 220-753-0, M-CHLOROBENZENESULPHONYL CHLORIDE

Molecular Formula: C6H4Cl2O2SMolecular Weight: 211.065760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OINWZUJVEXUHCC-UHFFFAOYSA-N

• 4-(Trifluoromethyl)benzenesulfonyl chloride
IUPAC Name: 4-(trifluoromethyl)benzenesulfonyl chloride | CAS Registry Number: 2991-42-6
Synonyms: 4-(trifluoromethyl)benzene-1-sulfonyl chloride, SBB063004, 4-trifluoromethyl-benzenesulfonylchloride, PubChem1959, AC1MCROO, ACMC-1CS6I, AC1Q4J3A, KSC201Q0N, Ambap2991-42-6, 565849_ALDRICH, Jsp005660, CTK1A1806, MolPort-000-146-853, 4-(Chlorosulphonyl)benzotrifluoride, ACN-P000623, ACN-S002585, ACN-S003894, AC-805, ANW-26732, AKOS001423836

Molecular Formula: C7H4ClF3O2SMolecular Weight: 244.618670 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: OZDCZHDOIBUGAJ-UHFFFAOYSA-N


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