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Shanghai Zealing Chemical Co., Ltd.

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Profile: Shanghai Zealing Chemical Co., Ltd. is engaged in advanced chemical intermediates for the pharmaceutical/biotech industry, either by custom synthesis or by contract.

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• Thio Acetamide
IUPAC Name: ethanethioamide | CAS Registry Number: 62-55-5
Synonyms: Ethanethioamide, Acetothioamide, Thiacetamide, THIOACETAMIDE, Acetamide, thio-, Thioacetimidic acid, Thiacetamid, Thioacetamid, Thioactamide, Acetimidic acid, thio-, USAF CB-21, Acetic acid, thiono-, amide, RCRA waste no. U218, RCRA waste number U218, USAF EK-1719, Acetamide, thio- (VAN), CCRIS 584, WLN: ZY1&US, THIOACETAMIDE, REAG., THIOACETAMIDE, 95%

Molecular Formula: C2H5NSMolecular Weight: 75.132800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: YUKQRDCYNOVPGJ-UHFFFAOYSA-N

• Trans-1,4-Cyclohexanediamine
IUPAC Name: cyclohexane-1,4-diamine | CAS Registry Number: 2615-25-0
Synonyms: 1,4-Diaminocyclohexane, Cyclohexane-1,4-diamine, nchembio.87-comp31, 1,4-Cyclohexylenediamine, trans-1,4-Cyclohexanediamine, 1,4-Cyclohexanediamine, cis-, cis-1,4-Cyclohexanediamine, CCRIS 6490, Hexahydro-1,4-phenylenediamine, trans-1,4-Diaminocyclohexane, 1,4-CYCLOHEXANEDIAMINE, trans-Cyclohexane-1,4-diamine, 1,4-Cyclohexanediamine, trans-, 32851_FLUKA, EINECS 221-483-6, CID18374, NSC19933, BRN 1919871, SBB008553, LS-56760

Molecular Formula: C6H14N2Molecular Weight: 114.188760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VKIRRGRTJUUZHS-UHFFFAOYSA-N

• trans-2-Aminocyclohexanol hydrochloride
IUPAC Name: (1R,2R)-2-aminocyclohexan-1-ol hydrochloride | CAS Registry Number: 5456-63-3
Synonyms: 222577_ALDRICH, AA222

Molecular Formula: C6H14ClNOMolecular Weight: 151.634460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: LKKCSUHCVGCGFA-KGZKBUQUSA-N

• trans-3-(3-Pyridyl)acrylic acid
IUPAC Name: (E)-3-pyridin-3-ylprop-2-enoic acid | CAS Registry Number: 19337-97-4
Synonyms: 3-Pyridylacrylic acid, 3-Pyridineacrylic acid, 3-(3-Pyridyl)acrylic acid, P66203_ALDRICH, MLS000673854, 3-(3-Pyridyl)propenoic acid, (2E)-3-pyridin-3-ylacrylic acid, ALBB-007463, EINECS 214-424-0, SMR000315095, ST5307857, TL8000367, PB270807782, 1126-74-5

Molecular Formula: C8H7NO2Molecular Weight: 149.146680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VUVORVXMOLQFMO-ONEGZZNKSA-N

• Trans-3-(4-Pyridyl)acrylic Acid
IUPAC Name: (E)-3-pyridin-4-ylprop-2-enoic acid | CAS Registry Number: 84228-93-3
Synonyms: 3-Pyridin-4-yl-acrylic acid, (2e)-3-pyridin-4-ylacrylic acid, 5337-79-1, 3-(4-Pyridyl)acrylic acid, trans-3-(4-pyridyl)acrylic acid, (e)-3-(pyridin-4-yl)acrylic acid, 4-Pyridineacrylic acid, 3-(4-pyridinyl)acrylic acid, 3-(pyridin-4-yl)acrylic acid, (2E)-3-(pyridin-4-yl)prop-2-enoic acid, (e)-3-pyridin-4-yl-acrylic acid, 4-Pyridineacrylicacid, (2E)-3-(4-pyridyl)prop-2-enoic acid, NSC830, AG-F-83122, PubChem9807, AC1LEIVW, AC1Q5RAZ, SureCN333510, b-(4-pyridyl)acrylic acid

Molecular Formula: C8H7NO2Molecular Weight: 149.146680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SSAYTINUCCRGDR-OWOJBTEDSA-N

• Triflic Acid
IUPAC Name: trifluoromethanesulfonic acid | CAS Registry Number: 1493-13-6
Synonyms: Triflic acid, Trimsylate, acide triflique, HOTf, TfOH, Trifluoromethanesulfonic acid, Perfluoromethanesulfonic acid, Fluorad FC 24, Trifluoromethanesulphonic acid, Trifluormethansulfonsaeure, CF3SO3H, Trifluoromethane sulfonic acid, Trifluoromethylsulfonic acid, CF3-SO3H, acide trifluoromethanesulfonique, 347817_ALDRICH, 35317_RIEDEL, CHEBI:48511, EINECS 216-087-5, METHANESULFONIC ACID, TRIFLUORO-

Molecular Formula: CHF3O3SMolecular Weight: 150.077050 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: ITMCEJHCFYSIIV-UHFFFAOYSA-N

• Triflic Anhydride
IUPAC Name: trifluoromethylsulfonyl trifluoromethanesulfonate | CAS Registry Number: 358-23-6
Synonyms: Triflic anhydride, Trifluoromethanesulfonic anhydride, 176176_ALDRICH, 91737_FLUKA, CHEBI:48509, Trifluoromethanesulphonic anhydride, EINECS 206-616-8, Methanesulfonic acid, trifluoro-, anhydride, LS-192058, 1,1,1-trifluoromethanesulfonic acid 1,1'-anhydride, 93916-16-6

Molecular Formula: C2F6O5S2Molecular Weight: 282.138819 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 11

InChIKey: WJKHJLXJJJATHN-UHFFFAOYSA-N

• Trifluoroacetaldehyde Methyl Hemiacetal
IUPAC Name: (1S)-2,2,2-trifluoro-1-methoxyethanol | CAS Registry Number: 431-46-9
Synonyms: Fluoral methyl hemiacetal, ZINC02040620, CID6999964, TRIFLUOROACETALDEHYDE HEMI METHYL ACETAL

Molecular Formula: C3H5F3O2Molecular Weight: 130.065810 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: GWTBCUWZAVMAQV-REOHCLBHSA-N

• Tris (Pentafluorophenyl)boron
IUPAC Name: tris(2,3,4,5,6-pentafluorophenyl)borane | CAS Registry Number: 1109-15-5
Synonyms: Tris(pentafluorophenyl)borane, Tris(perfluorophenyl)borane, TRIS(PENTAFLUOROPHENYL)BORON, Tris(2,3,4,5,6-pentafluorophenyl)borane, Perfluorotriphenylboron, zlchem 1272, AC1LBFYI, KSC491C8H, PERFLUOROTRIPHENYLBORANE, tris(pentafluorophenyl)-borane, tris-(Pentafluorophenyl)borane, ACMC-20997p, 442593_ALDRICH, Jsp000827, CTK3J1183, ZLE0047, MolPort-000-140-863, ANW-16211, AKOS005063333, AG-D-28709

Molecular Formula: C18BF15Molecular Weight: 511.979648 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 15

InChIKey: OBAJXDYVZBHCGT-UHFFFAOYSA-N

• tris(4-Fluorophenyl)phosphine
IUPAC Name: tris(4-fluorophenyl)phosphane | CAS Registry Number: 18437-78-0
Synonyms: Phosphine, tris(4-fluorophenyl)-, Tris(4-fluorophenyl)phosphine, Phosphine, tris(p-fluorophenyl)-, Tris(p-fluorophenyl)phosphine, 395099_ALDRICH, TRI(4-FLUOROPHENYL)PHOSPHINE, NSC158458, ST5405107

Molecular Formula: C18H12F3PMolecular Weight: 316.256851 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GEPJPYNDFSOARB-UHFFFAOYSA-N

• Tulipane
IUPAC Name: 3-methylideneoxolan-2-one | CAS Registry Number: 547-65-9
Synonyms: Securolide, Tulipalin, Tulipalin A, 2(3H)-Furanone, dihydro-3-methylene-, .alpha.-Methylene butyrolactone, alpha-Methylene butyrolactone, LMSV-6, alpha-Methylene-gamma-butyrolactone, Dihydro-3-methylene-2(3H)-furanone, 226416_ALDRICH, C5H6O2, 66735_FLUKA, EINECS 208-931-6, AIDS340092, alpha-methylene gamma-butyrolactone, NSC 205367, 3-methylene-tetrahydro-furan-2-one, 3-Methylenedihydro-2(3H)-furanone, 3-methylenedihydrofuran-2(3H)-one, AIDS-340092

Molecular Formula: C5H6O2Molecular Weight: 98.099940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GSLDEZOOOSBFGP-UHFFFAOYSA-N

• Ziprasidone HCl
IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one hydrate hydrochloride | CAS Registry Number: 138982-67-9
Synonyms: Geodon, Ziprasidone, Zeldox, Ziprasidone hydrochloride, Ziprasidone mesylate, Geodon (TN), C21H21ClN4OS.HCl, Ziprasidone hydrochloride [USAN], Ziprasidone hydrochloride monohydrate, Ziprasidone hydrochloride (USAN), ZIPRASIDONE HYDROCHLORIDE HYDRATE, ziprasidone hydrochloride, monohydrate, Ziprasidone hydrochloride hydrate (JAN), CP 88,059-1, CP-88059, LS-173039, CP-88059-01, CP 88-059-01, D01939, 2H-Indol-2-one, 5-(2-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)ethyl)-6-chloro-1,3-dihydro-, monohydrochloride, monohydrate

Molecular Formula: C21H24Cl2N4O2SMolecular Weight: 467.411860 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: ZCBZSCBNOOIHFP-UHFFFAOYSA-N

• 4-Formylphenylboronic Acid
IUPAC Name: (4-formylphenyl)boronic acid | CAS Registry Number: 87199-17-5
Synonyms: 4-Formylphenylboronic acid, 4-Boronobenzaldehyde, 4-Formylbenzeneboronic acid, (4-formylphenyl)boronic acid, 4-(Dihydroxyboryl)benzaldehyde, 431966_ALDRICH, Boronic acid, (4-formylphenyl)-, BM110, ALBB-006114, SBB004077, NCGC00092013-01, TL8005661, AF-399/25108026

Molecular Formula: C7H7BO3Molecular Weight: 149.939680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VXWBQOJISHAKKM-UHFFFAOYSA-N

• 2,4-Dichloro-5-nitro-6-methylpyrimidine
IUPAC Name: 2,4-dichloro-6-methyl-5-nitropyrimidine | CAS Registry Number: 13162-26-0
Synonyms: NSC122005, CID275294, TL8000747

Molecular Formula: C5H3Cl2N3O2Molecular Weight: 208.002220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: NBCOZXBHPKSFSA-UHFFFAOYSA-N

• 5-Bromouracil
IUPAC Name: 5-bromo-1H-pyrimidine-2,4-dione | CAS Registry Number: 51-20-7
Synonyms: Uracil, 5-bromo-, BROMOURACIL, Bromuracil, C4H3BrN2O2, 2,4(1H,3H)-Pyrimidinedione, 5-bromo-, Uracil, 5-bromo- (VAN), 5-Bromo-2,4-dihydroxypyrimidine, 852473_ALDRICH, 18660_FLUKA, 5-Bromo-2,4(1H,3H)-pyrimidinedione, 5-bromopyrimidine-2,4(1H,3H)-dione, CHEBI:20552, EINECS 200-084-0, CID5802, NSC 19940, AIDS081810, AIDS-081810, NSC19940, SBB003643, Uracil, 5-bromo- (VAN) (8CI)

Molecular Formula: C4H3BrN2O2Molecular Weight: 190.982820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LQLQRFGHAALLLE-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

• 7-Chloro-1-indanone
IUPAC Name: 7-chloro-2,3-dihydroinden-1-one | CAS Registry Number: 34911-25-6
Synonyms: 7-CHLORO-1-INDANONE, 7-chloro-2,3-dihydroinden-1-one, AG-F-19855, zlchem 626, PubChem13780, 7-chloro-indan-1-one, SureCN568118, AGN-PC-004L11, CTK4H3244, ZLD0076, MolPort-001-790-018, ACT05955, ANW-48372, SBB067138, ZINC12649382, 7-chloranyl-2,3-dihydroinden-1-one, AKOS006345970, 7-chloro-2,3-dihydro-1h-inden-1-one, 1H-Inden-1-one,7-chloro-2,3-dihydro-, AK-29207

Molecular Formula: C9H7ClOMolecular Weight: 166.604280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YNFZQNGHYQYLCF-UHFFFAOYSA-N

• 4-Bromo-1H-pyrazol-5-amine
IUPAC Name: 4-bromo-1H-pyrazol-5-amine | CAS Registry Number: 16461-94-2
Synonyms: 3-Amino-4-bromopyrazole, ZINC02149952, CID140079, SBB005499, ZINC04240086, ST5408544, TL8001263

Molecular Formula: C3H4BrN3Molecular Weight: 161.987960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: OELYMZVJDKSMOJ-UHFFFAOYSA-N

• 4-Bromo-2,5-difluoronitrobenzene
IUPAC Name: 1-bromo-2,5-difluoro-4-nitrobenzene | CAS Registry Number: 167415-27-2
Synonyms: ZINC00160132, CID2736286

Molecular Formula: C6H2BrF2NO2Molecular Weight: 237.986386 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: GJFYMYJYPARISZ-UHFFFAOYSA-N

• 3-Chloro-6-methoxypyridazine
IUPAC Name: 3-chloro-6-methoxypyridazine | CAS Registry Number: 1722-10-7
Synonyms: 3-CHLORO-6-METHOXYPYRIDAZINE, Pyridazine, 3-chloro-6-methoxy-, 108596_ALDRICH, NSC69819, ALBB-010083, CID74403, 6-chloropyridazin-3-yl methyl ether, EINECS 217-019-7, NSC522667, SBB004124, ZINC00152973, TL8007194, AC-907/25014054, InChI=1/C5H5ClN2O/c1-9-5-3-2-4(6)7-8-5/h2-3H,1H

Molecular Formula: C5H5ClN2OMolecular Weight: 144.559000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XBJLKXOOHLLTPG-UHFFFAOYSA-N

• 4-Methyl-3-nitroanisole
IUPAC Name: 4-methoxy-1-methyl-2-nitrobenzene | CAS Registry Number: 17484-36-5
Synonyms: 3-Nitro-4-methylanisole, 4-Methoxy-2-nitrotoluene, Anisole, 4-methyl-3-nitro-, 139823_ALDRICH, 68008_FLUKA, ZINC02567949, CID87137, Benzene, 4-methoxy-1-methyl-2-nitro-, EINECS 241-500-0, SBB008488, FR-2165, ST5406610, TL8001387, InChI=1/C8H9NO3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H

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

InChIKey: JBORNNNGTJSTLC-UHFFFAOYSA-N

• 2-Amino-6-bromopyridine
IUPAC Name: 5-bromoimidazo[1,2-a]pyridine | CAS Registry Number: 19798-81-3
Synonyms: 5-Bromo-imidazo[1,2-a]pyridine, FS002047

Molecular Formula: C7H5BrN2Molecular Weight: 197.032000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CCOFGVWHMYYDBG-UHFFFAOYSA-N

• 3,5-Dimethyl-4-iodopyrazole
IUPAC Name: 4-iodo-3,5-dimethyl-1H-pyrazole | CAS Registry Number: 2033-45-6
Synonyms: NCIOpen2_006773, 683523_ALDRICH, Pyrazole, 3,5-dimethyl-4-iodo-, 3,5-Dimethyl-4-iodo-1H-pyrazole, BM150, 4-iodo-3,5-dimethyl-1H-pyrazole, NSC 100887, ALBB-000005, CID97115, BRN 0108535, NSC100887, ZINC00157367, LS-128479, ST5307820, 5-23-05-00159 (Beilstein Handbook Reference)

Molecular Formula: C5H7IN2Molecular Weight: 222.026950 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MZZXIXHKDJNBJQ-UHFFFAOYSA-N

• 5-Nitrooxindole
IUPAC Name: 5-nitro-1,3-dihydroindol-2-one | CAS Registry Number: 20870-79-5
Synonyms: 5-Nitro-2-oxindole, NCIOpen2_002205, 653683_ALDRICH, 5-Nitro-1,3-dihydroindole-2-one, NSC25199, NSC99066, ZINC04368908, ST5411259

Molecular Formula: C8H6N2O3Molecular Weight: 178.144840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JQCGHRDKVZPCRO-UHFFFAOYSA-N

• 4,4'-Dimethoxybiphenyl
IUPAC Name: 1-methoxy-4-(4-methoxyphenyl)benzene | CAS Registry Number: 2132-80-1
Synonyms: 4,4'-Bianisole, 4,4'-Dimethoxy-1,1'-biphenyl, 4,4'-DIMETHOXYBIPHENYL, MLS000550145, 148539_ALDRICH, 1,1'-Biphenyl, 4,4'-dimethoxy-, NSC17524, NSC 17524, ZINC00056458, SMR000113794, ST5307332, AB-131/05736040

Molecular Formula: C14H14O2Molecular Weight: 214.259760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UIMPAOAAAYDUKQ-UHFFFAOYSA-N

• 2-Amino-4-phenoxy-6-methylpyrimidine
IUPAC Name: 4-methyl-6-phenoxypyrimidin-2-amine | CAS Registry Number: 22370-25-8
Synonyms: 4-methyl-6-phenoxy-2-pyrimidinamine, 4-methyl-6-phenoxypyrimidin-2-amine, AG-670/25003526, MLS000060860, zlchem 1109, AC1LDXM4, ChemDiv2_003414, SureCN4528068, Oprea1_388163, CTK4E9321, ZLD0577, MolPort-002-115-798, HMS1378L04, HMS2430H12, ZINC00040344, 2-Pyrimidinamine,4-methyl-6-phenoxy-, 4-methyl-6-phenoxy-pyrimidin-2-amine, AKOS001586902, 2-Amino-4-methyl-6-phenoxypyrimidine;, AG-E-63471

Molecular Formula: C11H11N3OMolecular Weight: 201.224540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VEGJCRCNLPQRRQ-UHFFFAOYSA-N

• 2,6-Dichloro-7-methylpurine
IUPAC Name: 2,6-dichloro-7-methylpurine | CAS Registry Number: 2273-93-0
Synonyms: Purine, 2,6-dichloro-7-methyl-, NSC7853, 7H-Purine, 2,6-dichloro-7-methyl-, NSC 7853, 2,6-Dichloro-7-methyl-7H-purine, CID75281, BRN 0174289, ZINC01581332, BAS 06633928, LS-126512, ST5280521, TL8001908, 5-26-11-00258 (Beilstein Handbook Reference)

Molecular Formula: C6H4Cl2N4Molecular Weight: 203.028760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: HVMUWHZAZGTMJK-UHFFFAOYSA-N

• 1-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)ethan-1-one
IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanone | CAS Registry Number: 22776-09-6
Synonyms: ZINC04200308, CID2775272, ST5209069

Molecular Formula: C11H12O3Molecular Weight: 192.211180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VGRSZNPWUZDPCH-UHFFFAOYSA-N

• 2-Amino-3-cyanopyridine
IUPAC Name: 2-aminopyridin-1-ium-3-carbonitrile | CAS Registry Number: 24517-64-4
Synonyms: ZINC00332991, CID6946533

Molecular Formula: C6H6N3+Molecular Weight: 120.131940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YYXDQRRDNPRJFL-UHFFFAOYSA-O

• 2-Chloro-5-methoxypyridine
IUPAC Name: 2-chloro-5-methoxypyridine | CAS Registry Number: 139585-48-1
Synonyms: 2-CHLORO-5-METHOXYPYRIDINE, Pyridine, 2-chloro-5-methoxy-, AG-D-79743, PubChem6222, zlchem 1255, ACMC-209cj8, 2-Chloro-5-methoxypyridine,, AGN-PC-0041OG, Pyridine,2-chloro-5-methoxy-, 2-chloranyl-5-methoxy-pyridine, CTK4C1870, ZLE0030, MolPort-002-041-507, ANW-20514, ZINC08698186, AKOS006239260, AB25956, LS20524, AK-33219, AM803196

Molecular Formula: C6H6ClNOMolecular Weight: 143.570940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZXGHKJHRHVDMSW-UHFFFAOYSA-N

• 3-Fluoro-4-nitropyridine
IUPAC Name: 3-fluoro-4-nitropyridine | CAS Registry Number: 13505-01-6
Synonyms: Pyridine, 3-fluoro-4-nitro-, SBB065342, AG-D-71766, zlchem 1257, PubChem16797, ACMC-1BVX1, AC1MC7J2, SureCN2602388, 3-fluoranyl-4-nitro-pyridine, KSC493S4N, CTK3J3946, ZLE0032, MolPort-002-041-741, ANW-19738, WTI-10683, ZINC02526725, AKOS006343009, AB17583, RP01305, AK-28774

Molecular Formula: C5H3FN2O2Molecular Weight: 142.087923 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: DIFITFKCBAVEAX-UHFFFAOYSA-N

• 3-Methylpyrazole
IUPAC Name: 5-methyl-1H-pyrazole | CAS Registry Number: 1453-58-3
Synonyms: 5-Methylpyrazole, 3(5)-Methylpyrazole, Pyrazole, 5-methyl-, PYRAZOLE, 3-METHYL-, 5-methyl-1H-pyrazole, 1H-Pyrazole, 3-methyl-, M75802_ALDRICH, EINECS 215-925-7, BB_SC-3908, ALBB-006081, BRN 0001454, SBB004404, ZINC04701702, LS-128523, TL8001003, 5-23-05-00004 (Beilstein Handbook Reference), InChI=1/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6, 88054-14-2

Molecular Formula: C4H6N2Molecular Weight: 82.103840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XKVUYEYANWFIJX-UHFFFAOYSA-N

• 2-Acetyl-1-tosylpyrrole
IUPAC Name: 1-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]ethanone | CAS Registry Number: 129666-99-5
Synonyms: ZINC02565449, CID2737785

Molecular Formula: C13H13NO3SMolecular Weight: 263.312220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MYLYBCZMJRPTEU-UHFFFAOYSA-N

• 4-Chloro-2-methylthiopyrimidine
IUPAC Name: 4-chloro-2-methylsulfanylpyrimidine | CAS Registry Number: 49844-90-8
Synonyms: NCIOpen2_001949, 145289_ALDRICH, EINECS 256-500-6, NSC100866, ZINC00388273, C2497G1

Molecular Formula: C5H5ClN2SMolecular Weight: 160.624600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DFOHHQRGDOQMKG-UHFFFAOYSA-N

• 7H-Pyrrolo[2,3-d]pyrimidine-2-thiol, 4-amino-
IUPAC Name: 4-amino-1,3-dihydropyrrolo[2,3-d]pyrimidine-2-thione | CAS Registry Number: 98198-24-4
Synonyms: 4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-thiol, SBB069232, AG-H-99136, 4-Amino-1,7-dihydro-2H-pyrrolo[2,3-d]pyrimidine-2-thione, zlchem 753, PubChem13008, CTK5H9762, ZLD0210, MolPort-000-140-074, ACT06074, ZINC15022085, AKOS006346505, AKOS015919422, OR14996, QC-9121, RP02482, AK-23738, HC210290, KB-72047, TL8006981

Molecular Formula: C6H6N4SMolecular Weight: 166.203640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: YZMVHADJFGBNBZ-UHFFFAOYSA-N

• 5-Methylthiazole
IUPAC Name: 5-methyl-1,3-thiazole | CAS Registry Number: 3581-89-3
Synonyms: Thiazole, 5-methyl-, 302740_ALDRICH, ZINC02563976, CID137980, InChI=1/C4H5NS/c1-4-2-5-3-6-4/h2-3H,1H

Molecular Formula: C4H5NSMolecular Weight: 99.154200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RLYUNPNLXMSXAX-UHFFFAOYSA-N

• 1-Amino-3,3-diethoxypropane (APEA)
IUPAC Name: 3,3-diethoxypropylazanium | CAS Registry Number: 41365-75-7
Synonyms: ZINC02512238, CID7015552

Molecular Formula: C7H18NO2+Molecular Weight: 148.223320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PXXMSHBZYAOHBD-UHFFFAOYSA-O

• 2-Bromo-4'-fluoroacetophenone
IUPAC Name: 2-bromo-1-(4-fluorophenyl)ethanone | CAS Registry Number: 403-29-2
Synonyms: p-Fluorophenacyl bromide, Bromo-4-fluoroacetophenone, 4-Fluorophenacyl bromide, 389390_ALDRICH, omega-Bromo-4-fluoroacetophenone, TOS-BB-1137, Acetophenone, 2-bromo-4'-fluoro-, CID96749, NSC88343, EINECS 206-955-1, 2-Bromo-1-(4-fluorophenyl)ethanone, SBB006561, ZINC00152861, 2-Bromo-1-(4-fluorophenyl)ethan-1-one, B157, TL8002931, InChI=1/C8H6BrFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H

Molecular Formula: C8H6BrFOMolecular Weight: 217.035043 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZJFWCELATJMDNO-UHFFFAOYSA-N

• 3-Chlorostyrene
IUPAC Name: 1-chloro-3-ethenylbenzene | CAS Registry Number: 2039-85-2
Synonyms: Styrene, m-chloro-, M-CHLOROSTYRENE, Styrene, 3-chloro-, Ambap2887, Benzene, 1-chloro-3-ethenyl-, 1-Chloro-3-vinylbenzene, C71009_ALDRICH, Styrene, m-chloro- (8CI), HSDB 3452, NSC18602, EINECS 218-024-7, NSC 18602, Benzene, 1-chloro-3-ethenyl- (9CI)

Molecular Formula: C8H7ClMolecular Weight: 138.594180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: BOVQCIDBZXNFEJ-UHFFFAOYSA-N

• 4-Iodoaniline
IUPAC Name: 4-iodoaniline | CAS Registry Number: 540-37-4
Synonyms: p-Iodoaniline, Aniline, p-iodo-, 4-Iodobenzenamine, 4-IODOANILINE, Benzenamine, 4-iodo-, p-Aminophenyl iodide, Aniline, 4-iodo-, 4-iodo-aniline, WLN: ZR DI, 129364_ALDRICH, CCRIS 9122, NSC 9246, 57700_FLUKA, EINECS 208-743-4, NSC9246, ALD-N033128, ZINC00013615, LS-19847, TL8003546, C013067

Molecular Formula: C6H6INMolecular Weight: 219.023010 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VLVCDUSVTXIWGW-UHFFFAOYSA-N

• 2,7-dihydroxy-9-fluorenone
IUPAC Name: 2,7-dihydroxyfluoren-9-one | CAS Registry Number: 42523-29-5
Synonyms: 2,7-Dihydroxy-9-fluorenone, 2,7-dihydroxy-9H-fluoren-9-one, 2,7-Dihydroxyfluorenone, AG-F-51199, ZINC00235319, zlchem 310, ChemDivAM_000848, ChemDiv1_019145, SureCN539276, AC1N92YX, 2,7-dihydroxyfluoren-9-one, Oprea1_047542, Compound 0356-0002, KSC238A5D, CHEMBL491290, CTK1D8051, HMS641G05, ZLC0135, MolPort-001-817-967, ACT08565

Molecular Formula: C13H8O3Molecular Weight: 212.200820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CWHPQXRTQSNTRR-UHFFFAOYSA-N

• 1H-Benzimidazole-2-carboxylicacid,4-methyl-
IUPAC Name: 4-methyl-1H-benzimidazole-2-carboxylic acid | CAS Registry Number: 673487-32-6
Synonyms: 4-Methyl-1H-benzimidazole-2-carboxylic acid, 4-methyl-1H-Benzimidazole-2-carboxylicacid, 4-Methyl-1H-benzoimidazole-2-carboxylic acid, zlchem 690, SureCN1144691, SureCN1144716, CTK2F2602, ZLD0142, MolPort-004-751-888, ACT05982, ANW-51066, SBB069081, AKOS006328803, AG-G-54633, RP23781, AK-28277, BR-28277, KB-74184, AB1010238, FT-0650244

Molecular Formula: C9H8N2O2Molecular Weight: 176.172020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: OBQMQANOQQJNFK-UHFFFAOYSA-N

• 4,4,4-Trifluorobutyric Acid
IUPAC Name: 4,4,4-trifluorobutanoate | CAS Registry Number: 406-93-9
Synonyms: ZINC02149736, CID7004208

Molecular Formula: C4H4F3O2-Molecular Weight: 141.068570 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: WTUCTMYLCMVYEX-UHFFFAOYSA-M

• 2-Amino-4-hydroxy-6-phenylpyrimidine
IUPAC Name: 2-amino-6-phenyl-1H-pyrimidin-4-one | CAS Registry Number: 56741-94-7
Synonyms: ChemDiv2_000111, Oprea1_175017, 2-Amino-6-phenyl-pyrimidin-4-ol, NSC42141, NSC212187, ZINC00040022, ZINC04555874, 2-amino-6-phenyl-3H-pyrimidin-4-one, 2-Amino-6-phenyl-4(1H)-pyrimidinone, 2-amino-6-phenyl-4(3H)-pyrimidinone, SDCCGMLS-0065515.P001, 4(1H)-Pyrimidinone, 2-amino-6-phenyl-, TL8003666, AF-936/31346025, T0515-8624

Molecular Formula: C10H9N3OMolecular Weight: 187.197960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: KXYGHDWFGFZJPJ-UHFFFAOYSA-N

• 1-Bromo-3-iodobenzene
IUPAC Name: 1-bromo-3-iodobenzene | CAS Registry Number: 591-18-4
Synonyms: m-Bromoiodobenzene, 3-Bromoiodobenzene, Ambap4340, Benzene, 1-bromo-3-iodo-, 1-BROMO-3-IODOBENZENE, 280097_ALDRICH, CID11561, EINECS 209-703-9, TL8003773, InChI=1/C6H4BrI/c7-5-2-1-3-6(8)4-5/h1-4

Molecular Formula: C6H4BrIMolecular Weight: 282.904430 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: CTPUUDQIXKUAMO-UHFFFAOYSA-N

• 7-Nitrooxindole
IUPAC Name: 7-nitro-1,3-dihydroindol-2-one | CAS Registry Number: 25369-31-7
Synonyms: 7-Nitro-1,3-dihydroindol-2-one, 7-nitro-oxindole, zlchem 86, PubChem7444, 7-nitroindolin-2-one, SureCN4409786, AC1O502R, CTK4F5567, ZLB0074, MolPort-003-984-701, 2-Indolinone,7-nitro- (8CI);, 7-nitro-1,3-dihydro-indol-2-one, ACT02467, ANW-72876, SBB069419, ZINC21301600, AKOS006294894, AG-E-77572, RD-0142, 2H-Indol-2-one,1,3-dihydro-7-nitro-

Molecular Formula: C8H6N2O3Molecular Weight: 178.144840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VGANBSWHOYEFKJ-UHFFFAOYSA-N

• 2-Pyridylacetonitrile
IUPAC Name: 2-pyridin-2-ylacetonitrile | CAS Registry Number: 2739-97-1
Synonyms: Pyridine-2-acetonitrile, pyridin-2-ylacetonitrile, 246565_ALDRICH, ZINC00164491, ALBB-008917, CID75959, EINECS 220-364-6, SB 00903

Molecular Formula: C7H6N2Molecular Weight: 118.135940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UKVQBONVSSLJBB-UHFFFAOYSA-N

• 6-Bromonicotinic acid
IUPAC Name: 6-bromopyridine-3-carboxylic acid | CAS Registry Number: 6311-35-9
Synonyms: 6-Bromo Nicotinic Acid, TPC-PY045, 646989_ALDRICH, NSC43545, MO 01211, AI-942/13331025

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

InChIKey: JDJBRMNTXORYEN-UHFFFAOYSA-N

• 1-Bromo-7-phenylheptane
IUPAC Name: 7-bromoheptylbenzene | CAS Registry Number: 78573-85-0
Synonyms: TL8005357

Molecular Formula: C13H19BrMolecular Weight: 255.193960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ASLQYSAHLPRDAY-UHFFFAOYSA-N

• 5-(4-Nitrophenyl)-2H-pyrazol-3-ylamine
IUPAC Name: 5-(4-nitrophenyl)-1H-pyrazol-3-amine | CAS Registry Number: 78583-83-2
Synonyms: ZINC04237527, BBV-072734, CID4712717, 3-(4-Nitrophenyl)-1H-pyrazol-5-amine, H09002

Molecular Formula: C9H8N4O2Molecular Weight: 204.185420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: UTUMMZUJYKIHOB-UHFFFAOYSA-N


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