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Profile: Tianjin Jie Zhong International Trade Co., Ltd. focuses on metal catalysts and ligands. Our catalyst products include palladium, ruthenium, rhodium, iridium, gold, platinum, nickel, copper and zirconium. Our ligands are mainly based on phosphorus, nitrogen, oxygen and chiral ligands.

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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

• Chloroiodomethane
IUPAC Name: chloro(iodo)methane | CAS Registry Number: 593-71-5
Synonyms: CHLOROIODOMETHANE, Methane, chloroiodo-, QMABlXaIh@, 242861_ALDRICH, 24920_FLUKA, CID11644, EINECS 209-804-8, OR30688, 3S109956, S14-0715

Molecular Formula: CH2ClIMolecular Weight: 176.384050 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PJGJQVRXEUVAFT-UHFFFAOYSA-N

• Cyclopropylmethanol
IUPAC Name: cyclopropylmethanol | CAS Registry Number: 2516-33-8
Synonyms: Cyclopropyl carbinol, Cyclopropanemethanol, Cyclopropylmethyl alcohol, Cyclopropanemethyl alcohol, Hydroxymethylcyclopropane, CPMO, Cyclopropylcarbinyl alcohol, (Hydroxymethyl)cyclopropane, 482099_ALDRICH, EINECS 219-735-5, NSC 85925, NSC85925, STK328109, ZINC01760657, AI3-39215, LS-58786

Molecular Formula: C4H8OMolecular Weight: 72.105720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GUDMZGLFZNLYEY-UHFFFAOYSA-N

• Diacetyl, Natural
IUPAC Name: butane-2,3-dione | CAS Registry Number: 431-03-8
Synonyms: biacetyl, 2,3-butanedione, diacetyl, dimethylglyoxal, Butanedione, Dimethyl glyoxal, butadione, dimethyl diketone, 2,3-diketobutane, 2,3-Butadione, 2,3-dioxobutane, Glyoxal, dimethyl-, Diketobutane, Diacetyl (natural), Dimethyldiketone, Acetoacetaldehyde, Butane-2,3-dione, 2,3-butandione, 2,3 Butanedione, Butan-2,3-dione

Molecular Formula: C4H6O2Molecular Weight: 86.089240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QSJXEFYPDANLFS-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-2-Hydroxyisobutyrate
IUPAC Name: ethyl 2-hydroxy-2-methylpropanoate | CAS Registry Number: 80-55-7
Synonyms: Ethyl 2-methyllactate, Ethyl 2-hydroxyisobutyrate, Ethyl alpha-hydroxyisobutyrate, Ethyl 2-hydroxy-2-methylpropionate, 2-Methyllactic acid ethyl ester, E31200_ALDRICH, Ethyl 2-hydroxy-2-methylpropanoate, Ethyl .alpha.-hydroxyisobutyrate, NSC 4667, EINECS 201-290-3, LACTIC ACID, 2-METHYL-, ETHYL ESTER, NSC4667, AIDS017665, AIDS-017665, BRN 0878308, ZINC00395638, AI3-09122, Propanoic acid, 2-hydroxy-2-methyl-, ethyl ester, LS-87486, 4-03-00-00783 (Beilstein Handbook Reference)

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

InChIKey: GFUIDHWFLMPAGY-UHFFFAOYSA-N

• M-Hydroxybenzonitrile
IUPAC Name: 3-hydroxybenzonitrile | CAS Registry Number: 873-62-1
Synonyms: 3-Cyanophenol, 3-Hydroxybenzonitrile, Benzonitrile, 3-hydroxy-, M-CYANOPHENOL, m-Hydroxybenzonitrile, Benzonitrile, m-hydroxy-, C93800_ALDRICH, NSC60108, EINECS 212-845-4, ZINC00388758, 3-HYDROXY-BENZOIC ACID,NITRILE, T5225188, InChI=1/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9

Molecular Formula: C7H5NOMolecular Weight: 119.120700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SGHBRHKBCLLVCI-UHFFFAOYSA-N

• Meta Chloro Per Benzoic Acid
IUPAC Name: 3-chlorobenzenecarboperoxoic acid | CAS Registry Number: 937-14-4
Synonyms: 3-Chloroperbenzoic acid, M-Chloroperbenzoic acid, 3-Chloroperoxybenzoic acid, MCPBA, M-Chloroperoxybenzoic acid, m-Chlorobenzoyl hydroperoxide, m-CPBA, Perbenzoic acid, m-chloro-, 3-Chlorobenzenecarboperoxoic acid, Peroxybenzoic acid, m-chloro-, meta-chloroperbenzoic acid, CCRIS 639, meta-chloroperoxybenzoic acid, Benzenecarboperoxoic acid, 3-chloro-, 273031_ALDRICH, 25800_FLUKA, CHEBI:52091, EINECS 213-322-3, NSC 97094, NSC97094

Molecular Formula: C7H5ClO3Molecular Weight: 172.565800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NHQDETIJWKXCTC-UHFFFAOYSA-N

• Methionol
IUPAC Name: 3-methylsulfanylpropan-1-ol | CAS Registry Number: 505-10-2
Synonyms: 3-methylthiopropanol, 3-Methylmercapto-1-propanol, 3-Hydroxypropyl methyl sulfide, 3-(Methylthio)-1-propanol, 1-Propanol, 3-(methylthio)-, 3-(Methylthio)propyl alcohol, gamma-Methylmercaptopropyl alcohol, 3-methylsulfanyl-1-propanol, Methyl 3-hydroxypropylsulfide, 3-methylsulfanyl-propan-1-ol, .gamma.-Methylmercaptopropyl alcohol, W341509_ALDRICH, 3-(METHYLTHIO)PROPANOL, FEMA No. 3415, 3-(methylsulfanyl)propan-1-ol, 318396_ALDRICH, CID10448, CHEBI:49019, NSC2859, gamma-Hydroxypropyl methyl sulfide

Molecular Formula: C4H10OSMolecular Weight: 106.186600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: CZUGFKJYCPYHHV-UHFFFAOYSA-N

• Methyl M-cyanobenzoate
IUPAC Name: methyl 3-cyanobenzoate | CAS Registry Number: 13531-48-1
Synonyms: Methyl m-cyanobenzoate, methyl 3-cyanobenzoate, 3-CN-C6H4-COOCH3, Benzoic acid, 3-cyano-, methyl ester, CID83554, RJC 00610, ZINC02559224, InChI=1/C9H7NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,1H

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

InChIKey: XPBHWSMZTSSEJE-UHFFFAOYSA-N

• N,N'-Dimorpholinomethane
IUPAC Name: 4-(morpholin-4-ylmethyl)morpholine | CAS Registry Number: 5625-90-1
Synonyms: Dimorpholinomethane, Bismorpholino methane, Bis(morpholino-)methan, 4,4-Methylenedimorpholine, 4,4'-Methylenedimorpholine, N,N'-Methylenebismorpholine, Oprea1_332757, Bis(morpholino-)methan [German], Morpholine, 4,4'-methylenebis-, EINECS 227-062-3, CID21839, MORPHOLINE, 4,4'-METHYLENEDI-, BRN 0111886, ZINC19324145, AI3-62944, LS-93136, STT-00259794, 4-27-00-00203 (Beilstein Handbook Reference)

Molecular Formula: C9H18N2O2Molecular Weight: 186.251420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MIFZZKZNMWTHJK-UHFFFAOYSA-N

• N-Fluorobenzenesulfonimide
IUPAC Name: N-fluoro-N-phenylsulfonylbenzenesulfonamide | CAS Registry Number: 133745-75-2
Synonyms: NFSI, N-Fluorodibenzenesulfonimide, MLS001359884, 392715_ALDRICH, N-Fluorodi(benzenesulfonyl)amine, ZINC00156389, SMR001224404, N-Fluoro-N-(phenylsulfonyl)benzenesulfonamide, 3S100660, 3S210807

Molecular Formula: C12H10FNO4S2Molecular Weight: 315.340503 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: RLKHFSNWQCZBDC-UHFFFAOYSA-N

• Nafazoline
IUPAC Name: 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole hydrochloride | CAS Registry Number: 835-31-4
Synonyms: Albalon, Vasocon, Rhinantin, Rhinoperd, Stricylon, Vasoclear, Rinofug, Sanorin, Coldan, Niazol, Opcon, Naphcon forte, Clear Eyes, Naphcon-A, VasoClear A, Vasocon-A, Albalon Liquifilm, Comfort Eye Drops, Mixture Name, Clera hydrochloride

Molecular Formula: C14H15ClN2Molecular Weight: 246.735300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DJDFFEBSKJCGHC-UHFFFAOYSA-N

• Ortho Acetyl Pyrazine
IUPAC Name: 1-pyrazin-2-ylethanone | CAS Registry Number: 22047-25-2
Synonyms: Acetylpyrazine, 2-ACETYLPYRAZINE, Pyrazine der., 1-Pyrazinylethanone, Ethanone, 1-pyrazinyl-, Ketone, methyl pyrazinyl, Methyl pyrazinyl ketone, Ethanone, l-pyrazinyl-, Pyrazin-1-ylethan-1-one, FEMA No. 3126, 1-Pyrazin-2-ylethan-1-one, W312606_ALDRICH, 251801_ALDRICH, EINECS 244-753-5, NSC 72374, AIDS070645, AIDS-070645, NSC72374, SBB006738, ZINC00163730

Molecular Formula: C6H6N2OMolecular Weight: 122.124640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DBZAKQWXICEWNW-UHFFFAOYSA-N

• Para Nitro Benzyl Alcohol
IUPAC Name: (4-nitrophenyl)methanol | CAS Registry Number: 619-73-8
Synonyms: 4-Nitrobenzyl alcohol, p-Nitrobenzyl alcohol, Benzenemethanol, 4-nitro-, Benzyl alcohol, p-nitro-, (4-Nitrophenyl)methanol, 4-Nitrobenzenemethanol, p-(Hydroxymethyl)nitrobenzene, 4NBA, CCRIS 5118, N12821_ALDRICH, PARANITROBENZYL ALCOHOL, NSC 5389, 73160_FLUKA, EINECS 210-611-6, CPD-702, NSC5389, AIDS020829, AIDS-020829, BRN 1424026, SBB008259

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

InChIKey: JKTYGPATCNUWKN-UHFFFAOYSA-N

• Pemirolast Potassium
IUPAC Name: potassium 9-methyl-3-(2,3,4-triaza-5-azanida-1-yl)pyrido[1,2-a]pyrimidin-4-one | CAS Registry Number: 100299-08-9
Synonyms: Pemilaston, Alamast, Alegysal, Pemilaston (TN), Alegysal (TN), PEMIROLAST POTASSIUM, Alamast (TN), Pemirolast potassium salt, TBX, Pemirolast Potassium, CCRIS 3562, Pemirolast potassium [USAN:JAN], C10H9N6O.K, BMY 26517, Pemirolast potassium (JAN/USAN), TWT-8152, BMY-26517, DE-068, LS-134189, D01088, TBX

Molecular Formula: C10H7KN6OMolecular Weight: 266.300480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: NMMVKSMGBDRONO-UHFFFAOYSA-N

• Pheniramine
IUPAC Name: N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine | CAS Registry Number: 86-21-5
Synonyms: pheniramine, Feniramine, Prophenpyridamine, Tripoton, Propheniramine, Trimeton, Pyriton, Avil, Metron, Histapyridamine, Feniramina, Pheniraminum, Inhiston, Naphcon-A, Pheniramine Bimaleate, Feniramina [INN-Spanish], Pheniraminum [INN-Latin], Pheniramine [INN:BAN], VISINE-A, OPCON-A

Molecular Formula: C16H20N2Molecular Weight: 240.343400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IJHNSHDBIRRJRN-UHFFFAOYSA-N

• Phenoxyethyl Isobutyrate
IUPAC Name: 2-(phenoxy)ethyl 2-methylpropanoate | CAS Registry Number: 103-60-6
Synonyms: 2-Phenoxyethyl isobutyrate, Phenoxyethyl isobutyrate, Phenoxy ethyl isobutyrate, FEMA No. 2873, W287318_ALDRICH, 2-Phenoxyethyl 2-methylpropanoate, Isobutyric acid, 2-phenoxyethyl ester, EINECS 203-127-1, NSC 227210, BRN 2215248, NSC227210, NSC406209, AI3-02711, LS-3036, Ethylene glycol monophenyl ether isobutyrate, PROPANOIC ACID, 2-METHYL-, 2-PHENOXYETHYL ESTER, Ethylene glycol monophenylether isobutyrate, ST5410666, Isobutyric acid, 2-phenoxyethyl ester (6CI,8CI), 3-06-00-00572 (Beilstein Handbook Reference)

Molecular Formula: C12H16O3Molecular Weight: 208.253640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MJTPMXWJHPOWGH-UHFFFAOYSA-N

• Pyridinium-P-Toluene Sulphonate
IUPAC Name: 4-methylbenzenesulfonic acid; pyridine | CAS Registry Number: 24057-28-1
Synonyms: Pyridinium toluene-4-sulphonate, Pyridine, 4-methylbenzenesulfonate, p-Toluenesulfonic acid, pyridine adduct, EINECS 246-002-7, CID161440, Benzenesulfonic acid, 4-methyl-, compd. with pyridine (1:1)

Molecular Formula: C12H13NO3SMolecular Weight: 251.301520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZDYVRSLAEXCVBX-UHFFFAOYSA-N

• Trifluoroanisole
IUPAC Name: trifluoromethoxybenzene | CAS Registry Number: 456-55-3
Synonyms: (Trifluoromethoxy)benzene, Phenyl trifluoromethyl ether, trifluoromethyloxy-benzene, Benzene, (trifluoromethoxy)-, 337064_ALDRICH, alpha,alpha,alpha-Trifluoroanisole, EINECS 207-269-5, ZINC00167127, ST5405138

Molecular Formula: C7H5F3OMolecular Weight: 162.109210 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: GQHWSLKNULCZGI-UHFFFAOYSA-N

• 3-Cyanobenzaldehyde
IUPAC Name: 3-formylbenzonitrile | CAS Registry Number: 24964-64-5
Synonyms: m-Formylbenzonitrile, 3-Formylbenzonitrile, Benzonitrile, 3-formyl-, 146250_ALDRICH, EINECS 246-549-1, SEW 02565, ZINC00165270, TL8002036, InChI=1/C8H5NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6

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

InChIKey: HGZJJKZPPMFIBU-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

• 4-Cyanobenzylbromide
IUPAC Name: 4-(bromomethyl)benzonitrile | CAS Registry Number: 17201-43-3
Synonyms: 4-Cyanobenzyl bromide, p-Cyanobenzyl bromide, alpha-Bromo-p-tolunitrile, 4-(Bromomethyl)benzonitrile, .alpha.-Bromo-p-tolunitrile, p-(Bromomethyl)benzonitrile, alpha-Bromo-p-toluonitrile, NCIOpen2_001738, p-Tolunitrile, alpha-bromo-, Benzonitrile, p-(bromomethyl)-, Benzonitrile, 4-(bromomethyl)-, p-Toluonitrile, alpha-bromo-, 144061_ALDRICH, p-Tolunitrile, .alpha.-bromo-, p-Toluonitrile, .alpha.-bromo-, NSC95792, EINECS 241-246-0, NSC 95792, ZINC01621442, ST5214109

Molecular Formula: C8H6BrNMolecular Weight: 196.043940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: UMLFTCYAQPPZER-UHFFFAOYSA-N

• 3-Aminobenzonitrile
IUPAC Name: 3-aminobenzonitrile | CAS Registry Number: 2237-30-1
Synonyms: 3-Cyanoaniline, m-Cyanoaniline, M-AMINOBENZONITRILE, Benzonitrile, m-amino-, m-Anthranilonitrile, Benzonitrile, 3-amino-, 164771_ALDRICH, NSC 7626, 07002_FLUKA, Benzonitrile, 3-amino- (9CI), EINECS 218-800-5, NSC7626, AIDS020235, AIDS-020235, BRN 0636498, ZINC00388409, LS-38620, TL8001873, 4-14-00-01095 (Beilstein Handbook Reference), InChI=1/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H

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

InChIKey: NJXPYZHXZZCTNI-UHFFFAOYSA-N

• 2-Acetylthiazole
IUPAC Name: 1-(1,3-thiazol-2-yl)ethanone | CAS Registry Number: 24295-03-2
Synonyms: 1-thiazol-2-yl-ethanone, Ethanone, 1-(2-thiazolyl)-, W332801_ALDRICH, 288411_ALDRICH, 1-(1,3-Thiazol-2-yl)ethanone, ZINC00164484, 3,3'-DICARBOXYDIPHENYLMETHANE, NCGC00091718-01, SB 00889

Molecular Formula: C5H5NOSMolecular Weight: 127.164300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MOMFXATYAINJML-UHFFFAOYSA-N

• 3-Amino-4-Cyanopyrazole
IUPAC Name: 5-amino-1H-pyrazole-4-carbonitrile | CAS Registry Number: 16617-46-2
Synonyms: 3-Amino-4-cyanopyrazole, 5-Amino-4-cyanopyrazole, 3-Amino-4-pyrazolecarbonitrile, 3-Aminopyrazole-4-nitrile, 3-Aminopyrazole-4-carbonitrile, 5-Aminopyrazole-4-carbonitrile, 153044_ALDRICH, Pyrazole-4-carbonitrile, 3-amino-, 5-amino-1H-pyrazole-4-carbonitrile, ZERO/001752, 3-Amino-1H-pyrazole-4-carbonitrile, BB_SC-3265, 1H-Pyrazole-4-carbonitrile, 3-amino-, NSC44932, EINECS 240-665-6, NSC 44932, ZINC01069844, TL8001275, AE-473/31199025, 103013-86-1

Molecular Formula: C4H4N4Molecular Weight: 108.101360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: FFNKBQRKZRMYCL-UHFFFAOYSA-N

• 2-Amino Benzonitrile
IUPAC Name: 2-aminobenzonitrile | CAS Registry Number: 1885-29-6
Synonyms: Anthranilonitrile, 2-Aminobenzonitrile, 2-Cyanoaniline, o-Cyanoaniline, Benzonitrile, 2-amino-, o-Aminobenzonitrile, A89901_ALDRICH, 07001_FLUKA, EINECS 217-549-9, AIDS020234, BB_SC-4521, AIDS-020234, BRN 0907187, ZINC00157544, LS-20596, TL8001530, 4-14-00-01013 (Beilstein Handbook Reference), InChI=1/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H, 6944-57-6

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

InChIKey: HLCPWBZNUKCSBN-UHFFFAOYSA-N

• 2-Benzyl Pyridine
IUPAC Name: 2-(phenylmethyl)pyridine | CAS Registry Number: 101-82-6
Synonyms: 2-BENZYLPYRIDINE, Pyridine, 2-benzyl-, Pyridine, 2-(phenylmethyl)-, 2-(Phenylmethyl)pyridine, B30200_ALDRICH, NSC 4033, EINECS 202-979-1, NSC4033, BRN 0115875, ZINC00967345, AI3-11559, LS-130284, ST5214501, TL8000102, 5-20-07-00556 (Beilstein Handbook Reference), AC-907/25014395, InChI=1/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H

Molecular Formula: C12H11NMolecular Weight: 169.222440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PCFUWBOSXMKGIP-UHFFFAOYSA-N

• 4-(Trifluoromethoxy) Aniline
IUPAC Name: 4-(trifluoromethoxy)aniline | CAS Registry Number: 461-82-5
Synonyms: 4-(Trifluoromethoxy)aniline, p-Trifluoromethoxyaniline, TimTec1_005779, 337056_ALDRICH, 91752_FLUKA, ZERO/001420, p-Aminophenyl trifluoromethyl ether, EINECS 207-317-5, ZINC00081472, alpha,alpha,alpha-Trifluoro-p-anisidine, SDCCGMLS-0066269.P001, NCGC00173519-01, TL8003196, D1221

Molecular Formula: C7H6F3NOMolecular Weight: 177.123850 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: XUJFOSLZQITUOI-UHFFFAOYSA-N

• 4-Aminobenzonitrile
IUPAC Name: 4-aminobenzonitrile | CAS Registry Number: 873-74-5
Synonyms: 4-Cyanoaniline, p-Cyanoaniline, Benzonitrile, 4-amino-, Aniline, p-cyano-, Benzonitrile, p-amino-, P-AMINOBENZONITRILE, 1-Amino-4-cyanobenzene, para-aminobenzonitrile, WLN: ZR DCN, 147753_ALDRICH, C7H6N2, Benzonitrile, p-amino- (8CI), NSC 7625, 07010_FLUKA, EINECS 212-850-1, NSC7625, AIDS020236, AIDS-020236, BRN 0774507, BENZOIC ACID,4-AMINO,NITRILE

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

InChIKey: YBAZINRZQSAIAY-UHFFFAOYSA-N

• 4-Bromo-2-Fluorotoluene
IUPAC Name: 4-bromo-2-fluoro-1-methylbenzene | CAS Registry Number: 51436-99-8
Synonyms: 4-Bromo-2-fluorotoluene, 2-Fluoro-4-bromotoluene, 345040_ALDRICH, EINECS 257-201-3, CID171040, Benzene, 4-bromo-2-fluoro-1-methyl-, B116, TL806216, ST5406369, InChI=1/C7H6BrF/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H

Molecular Formula: C7H6BrFMolecular Weight: 189.024943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YZFVUQSAJMLFOZ-UHFFFAOYSA-N

• 4-Carboxybenzaldehyde
IUPAC Name: 4-formylbenzoic acid | CAS Registry Number: 619-66-9
Synonyms: Benzoic acid, 4-formyl-, Terephthalaldehydic acid, p-Carboxybenzaldehyde, p-Formylbenzoic acid, Terephthaldehydic acid, 4-Carboxybenzaladehyde, 4-FORMYLBENZOIC ACID, 4-Formyl-benzoic acid, para-carboxybenzaldehyde, HSDB 5719, MLS001055479, Benzaldehyde-4-carboxylic acid, 124915_ALDRICH, 21873_FLUKA, EINECS 210-607-4, 4-Carboxybenzaldehyde treated BSA, NSC 15797, AIDS189650, AIDS-189650, NSC15797

Molecular Formula: C8H6O3Molecular Weight: 150.131440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GOUHYARYYWKXHS-UHFFFAOYSA-N

• 4-Chloro-2-Fluoromethyl Benzene
IUPAC Name: 4-chloro-2-fluoro-1-methylbenzene | CAS Registry Number: 452-75-5
Synonyms: 4-Chloro-2-fluorotoluene, Ambap4330, 247707_ALDRICH, 4-Chloro-2-fluoro-1-methylbenzene, EINECS 207-210-3, Benzene, 4-chloro-2-fluoro-1-methyl-, C111

Molecular Formula: C7H6ClFMolecular Weight: 144.573943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MKFCYQTVSDCXAQ-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-Cyanobenzoic Acid
IUPAC Name: 4-cyanobenzoic acid | CAS Registry Number: 619-65-8
Synonyms: 4-CYANOBENZOIC ACID, p-Cyanobenzoic acid, p-Carboxybenzonitrile, Benzoic acid, 4-cyano-, Benzoic acid, p-cyano-, Terephthalic acid mononitrile, C89803_ALDRICH, Benzoic acid, p-cyano- (8CI), NSC6306, NSC 6306, EINECS 210-606-9, SBB008570, FR-2274, TL8003998, AC-907/25014365, InChI=1/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11

Molecular Formula: C8H5NO2Molecular Weight: 147.130800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ADCUEPOHPCPMCE-UHFFFAOYSA-N

• 4-Formyl-Benzoic Acid Methyl Ester
IUPAC Name: methyl 4-formylbenzoate | CAS Registry Number: 1571-08-0
Synonyms: Methyl p-formylbenzoate, p-Carbomethoxybenzaldehyde, 4-Carbomethoxybenzaldehyde, Methyl terephthalaldehydate, Methyl terephthaldehydate, Methyl-p-formyl benzoate, METHYL 4-FORMYLBENZOATE, Methyl benzaldehyde-4-carboxylate, 2-Methoxycarbonylbenzaldehyde, 4-(Methoxycarbonyl)benzaldehyde, Benzoic acid, 4-formyl-, methyl ester, p-Formylbenzoic acid methyl ester, CCRIS 6063, p-Methoxycarbonylbenzaldehyde, HSDB 5842, 4-Carboxybenzaldehyde methyl ester, 244740_ALDRICH, Terephthalaldehydic acid, methyl ester, EINECS 216-385-5, NSC 28459

Molecular Formula: C9H8O3Molecular Weight: 164.158020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: FEIOASZZURHTHB-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

• 4-HydroxyPhenyl Ethanol
IUPAC Name: 4-(2-hydroxyethyl)phenol | CAS Registry Number: 501-94-0
Synonyms: Tyrosol, 4-Hydroxyphenylethanol, Benzeneethanol, 4-hydroxy-, 2-(4-Hydroxyphenyl)ethanol, 4-Hydroxybenzeneethanol, p-Hydroxyphenethyl alcohol, 4-(2-Hydroxyethyl)phenol, p-hydroxyphenylethanol, 4-Hydroxyphenethyl alcohol, MLS001332423, MLS001332424, 188255_ALDRICH, CHEBI:1879, 79058_FLUKA, EINECS 207-930-8, NSC 59876, CPD3O-4151, 2-(P-HYDROXYPHENYL)ETHANOL, CID10393, NSC59876

Molecular Formula: C8H10O2Molecular Weight: 138.163800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YCCILVSKPBXVIP-UHFFFAOYSA-N

• 4-Methylcatechol
IUPAC Name: 4-methylbenzene-1,2-diol | CAS Registry Number: 452-86-8
Synonyms: Homocatechol, 3,4-Dihydroxytoluene, Homopyrocatechol, p-Methylcatechol, p-Methylpyrocatechol, 4-Methyl-1,2-benzenediol, Toluene-3,4-diol, 4-methylbenzene-1,2-diol, 4-METHYLPYROCATECHOL, Pyrocatechol, 4-methyl-, 1,2-Benzenediol, 4-methyl-, 1,2-Dihydroxy-4-methylbenzene, Ambap4371, 4-Methyl-1,2-dihydroxybenzene, CCRIS 3333, M34200_ALDRICH, MLS001066329, C7H8O2, 53480_FLUKA, CHEBI:17254

Molecular Formula: C7H8O2Molecular Weight: 124.137220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZBCATMYQYDCTIZ-UHFFFAOYSA-N

• 2-Methyl-3-Furanthiol
IUPAC Name: 2-methylfuran-3-thiol | CAS Registry Number: 28588-74-1
Synonyms: 2-Methyl-3-furanthiol, 2-Methyl-3-furylthiol, 2-Methylfuran-3-thiol, 2-Methyl-3-mercaptofuran, 2-Methyl-3-furylmercaptan, 3-FURANTHIOL, 2-METHYL-, FEMA No. 3188, W318809_ALDRICH, 441163_ALDRICH, EINECS 249-094-7, ZINC00396117, LS-2923

Molecular Formula: C5H6OSMolecular Weight: 114.165540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RUYNUXHHUVUINQ-UHFFFAOYSA-N

• 2-Methyltetrahydrofuran-3-One
IUPAC Name: 2-methyloxolan-3-one | CAS Registry Number: 3188-00-9
Synonyms: 2-Methyl-2H-furan-3-one, Dihydro-2-methyl-3-furanone, Dihydro-2-methyl-3(2H)-furanone, 2-Methyl-3-oxotetrahydrofuran, FEMA No. 3373, 2-Methyl-3-ketotetrahydrofuran, 3(2H)-Furanone, dihydro-2-methyl-, 2-Methyltetrahydro-3-furanone, W337307_ALDRICH, 277487_ALDRICH, EINECS 221-685-4, 2-METHYLTETRAHYDROFURAN-3-ONE, BRN 1341334, 2-Methyl-4,5-dihydro-3(2H)-furanone, LS-2961, 4,5-dihydro-2-methyl-3(2H)-furanone, SB 01113, 5-17-09-00023 (Beilstein Handbook Reference), 159551-39-0

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

InChIKey: FCWYQRVIQDNGBI-UHFFFAOYSA-N

• 2-Bromo-4-fluorotoluene
IUPAC Name: 2-bromo-4-fluoro-1-methylbenzene | CAS Registry Number: 1422-53-3
Synonyms: 2-Bromo-5-fluorotoluene, 363847_ALDRICH, 2-Bromo-4-fluoro-1-methylbenzene, EINECS 215-830-0, Benzene, 2-bromo-4-fluoro-1-methyl-, B136, TL806335, ST5405150, InChI=1/C7H6BrF/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H

Molecular Formula: C7H6BrFMolecular Weight: 189.024943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SFGFOJPGCOYQJK-UHFFFAOYSA-N

• 2-Bromo-5-fluorophenol
IUPAC Name: 2-bromo-5-fluorophenol | CAS Registry Number: 147460-41-1
Synonyms: 380350_ALDRICH, ZINC00389860, JRD-1705, CID2724600

Molecular Formula: C6H4BrFOMolecular Weight: 190.997763 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HUVAOAVBKOVPBZ-UHFFFAOYSA-N

• 2-(Trifluoromethoxy)aniline
IUPAC Name: 2-(trifluoromethoxy)aniline | CAS Registry Number: 1535-75-7
Synonyms: 464279_ALDRICH, Benzenamine, 2-(trifluoromethoxy)-, JRD-0646, EINECS 216-257-9, SBB006602, ZINC00163283, alpha,alpha,alpha-Trifluoro-o-anisidine, SDCCGMLS-0066223.P001, TL8001148

Molecular Formula: C7H6F3NOMolecular Weight: 177.123850 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: ZFCOUBUSGHLCDT-UHFFFAOYSA-N

• 3-Cyanobenzoic acid
IUPAC Name: 3-cyanobenzoic acid | CAS Registry Number: 1877-72-1
Synonyms: m-Cyanobenzoic acid, Benzoic acid, 3-cyano-, 3-CYANOBENZOIC ACID, 3-Carboxybenzonitrile, Benzoic acid, m-cyano-, Enamine_005492, Isophthalic acid mononitrile, 157163_ALDRICH, AIDS169353, AIDS-169353, EINECS 217-511-1, TL806217, T0517-5210, InChI=1/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11

Molecular Formula: C8H5NO2Molecular Weight: 147.130800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GYLKKXHEIIFTJH-UHFFFAOYSA-N

• 3-Amino-1H-pyrazole-4-carboxamide hemisulfate
IUPAC Name: 5-amino-1H-pyrazole-4-carboxamide | CAS Registry Number: 27511-79-1
Synonyms: NSC1402, BB_SC-4909, 3-Amino-1H-pyrazole-4-carboxamide, CID79254, ZERO/009193, EINECS 226-252-3, ZINC01576805, 3-AMINO-4-PYRAZOLECARBOXAMIDE, 5334-31-6, Pca

Molecular Formula: C4H6N4OMolecular Weight: 126.116640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: LEFSNWUSTYESGC-UHFFFAOYSA-N

• 2-Chloro-4-nitrobenzonitrile
IUPAC Name: 2-chloro-4-nitrobenzonitrile | CAS Registry Number: 28163-00-0
Synonyms: ZINC00160594, CID141401, ST5405923

Molecular Formula: C7H3ClN2O2Molecular Weight: 182.563920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZIGQFRQZYVQQDR-UHFFFAOYSA-N

• 7-7-methyl-3,4-dihydro-2H-1,5-benzdioxepine-3-one
IUPAC Name: 8-methyl-1,5-benzodioxepin-3-one | CAS Registry Number: 28940-11-6
Synonyms: EINECS 249-320-4, CID120101, 7-Methyl-2H-benzo-1,5-dioxepin-3(4H)-one, 2H-1,5-Benzodioxepin-3(4H)-one, 7-methyl-, 7-Methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-one, 35783-05-2

Molecular Formula: C10H10O3Molecular Weight: 178.184600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SWUIQEBPZIHZQS-UHFFFAOYSA-N

• 2,6-Dibromo-4-fluoroaniline
IUPAC Name: 2,6-dibromo-4-fluoroaniline | CAS Registry Number: 344-18-3
Synonyms: 340723_ALDRICH, NSC51868, CID242872, ZINC00152805, ST5319394, InChI=1/C6H4Br2FN/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,10H

Molecular Formula: C6H4Br2FNMolecular Weight: 268.909063 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VHPLZFGCNLDYQH-UHFFFAOYSA-N

• 4-Bromo(trifluoromethoxy)benzene
IUPAC Name: 1-bromo-4-(trifluoromethoxy)benzene | CAS Registry Number: 407-14-7
Synonyms: 1-Bromo-4-(trifluoromethoxy)benzene, 339601_ALDRICH, p-Bromophenyl trifluoromethyl ether, 4-(Trifluoromethoxy)bromobenzene, JRD-0212, EINECS 206-979-2, SBB006606, ZINC00056737, TL806382, InChI=1/C7H4BrF3O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4

Molecular Formula: C7H4BrF3OMolecular Weight: 241.005270 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: SEAOBYFQWJFORM-UHFFFAOYSA-N


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