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Profile: Spectrum Info Ltd. focuses on laboratory scale synthesis of fine organic chemicals and combinatorial building blocks. We provide rare and commercially unavailable compounds for research chemists. Our catalog of fine chemicals contains several hundred building blocks for organic synthesis. We provide about 500 synthetic dyes of various classes covering the absorbance range 350-1100 nm. Specialty dyes catalog includes laser dyes, fluorescent probes, dyes for worm disks production & electrophotography, silver halide sensitizers for visible & near IR region, and indicators.

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• 2-(3-Chlorophenyl)propionic acid
IUPAC Name: 3-(2-chlorophenyl)propanoic acid | CAS Registry Number: 1643-28-3
Synonyms: 3-(2-Chlorophenyl)propanoic acid, 3-(2-Chlorophenyl)propionic acid, 2-Chlorobenzenepropanoic acid, ARONIS013905, Benzenepropanoic acid, 2-chloro-, NSC28954, ST5408221, TL8001257, AJ-087/41885657

Molecular Formula: C9H9ClO2Molecular Weight: 184.619560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KZMDFTFGWIVSNQ-UHFFFAOYSA-N

• 6-Bromo-2-chloroquinoline
IUPAC Name: 6-bromo-2-chloroquinoline | CAS Registry Number: 1810-71-5
Synonyms: 6-Bromo-2-chloro-quinoline, AG-E-31167, PubChem14631, ACMC-209ehe, AC1Q3KWM, AGN-PC-00JZ6W, KSC537O9R, Quinoline,6-bromo-2-chloro-, Quinoline, 6-bromo-2-chloro-, CTK4D7798, 2-CHLORO-6-BROMOQUINOLINE, MolPort-000-140-514, ANW-23040, WTI-11332, ZINC02527448, AKOS005145940, PB12313, RP09479, AK-27465, BR-27465

Molecular Formula: C9H5BrClNMolecular Weight: 242.499700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YXRDWUJAJLDABJ-UHFFFAOYSA-N

• 1,2-Diphenyl-1H-indole
IUPAC Name: 1,2-di(phenyl)indole | CAS Registry Number: 18434-12-3
Synonyms: 1,2-Diphenylindole, 1H-Indole, 1,2-diphenyl-, EINECS 242-311-6, 363928_SIAL, CID87638

Molecular Formula: C20H15NMolecular Weight: 269.339800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BRIKLJCDBBFRAE-UHFFFAOYSA-N

• 2-Chlorobenzothiazole
IUPAC Name: 2-chloro-1,3-benzothiazole | CAS Registry Number: 615-20-3
Synonyms: BENZOTHIAZOLE, 2-CHLORO-, USAF EK-2784, 2-Chloro-1,3-benzothiazole, 167576_ALDRICH, WLN: T56 BN DSJ CG, NSC 8442, EINECS 210-415-0, NSC8442, AIDS019691, AIDS-019691, BRN 0116316, ZINC00152274, AI3-63118, AC 17349, LS-40712, 4-27-00-01072 (Beilstein Handbook Reference), InChI=1/C7H4ClNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4

Molecular Formula: C7H4ClNSMolecular Weight: 169.631360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BSQLQMLFTHJVKS-UHFFFAOYSA-N

• 2,4-Dichloro-6-nitroaniline
IUPAC Name: 2,4-dichloro-6-nitroaniline | CAS Registry Number: 2683-43-4
Synonyms: 4,6-Dichloro-2-nitroaniline, 126004_ALDRICH, 2,4-Dichloro-6-nitrophenylamine, NSC28582, EINECS 220-241-7, SBB003479, ZINC03860989, T0517-8621, InChI=1/C6H4Cl2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H

Molecular Formula: C6H4Cl2N2O2Molecular Weight: 207.014160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IZEZAMILKKYOPW-UHFFFAOYSA-N

• 5,6-Dichloro-1-ethyl-2-methylbenzimidazole
IUPAC Name: 5,6-dichloro-1-ethyl-2-methylbenzimidazole | CAS Registry Number: 3237-62-5
Synonyms: CBDivE_008738, CID76717, EINECS 221-797-3, ZINC00236070, BAS 00009391, ST5000020, 1-Ethyl-2-methyl-5,6-dichlorobenzimidazole, 5,6-Dichloro-1-ethyl-2-methyl-1H-benzimidazole, 5,6-Dichloro-1-ethyl-2-methyl-1H-benzoimidazole, 1H-Benzimidazole, 5,6-dichloro-1-ethyl-2-methyl-

Molecular Formula: C10H10Cl2N2Molecular Weight: 229.105800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IVVLMQPTQOLYDX-UHFFFAOYSA-N

• 4-(Chloromethyl)-2-methyl-1,3-thiazole
IUPAC Name: 4-(chloromethyl)-2-methyl-1,3-thiazole | CAS Registry Number: 39238-07-8
Synonyms: ZINC00157256, CID736341, SPB 02171

Molecular Formula: C5H6ClNSMolecular Weight: 147.625840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AQBBZYVPKBIILN-UHFFFAOYSA-N

• 3-(Chlorosulfonyl)benzoic acid
IUPAC Name: 3-chlorosulfonylbenzoic acid | CAS Registry Number: 4025-64-3
Synonyms: m-Chlorosulfonylbenzoic acid, Benzoic acid, 3-(chlorosulfonyl)-, m-(Chlorosulfonyl)benzoic acid, 3-Carboxyphenylsulfonyl chloride, 3-Carboxybenzenesulfonyl chloride, 441759_ALDRICH, 3-(Chlorosulphonyl)benzoic acid, Benzoic acid, m-(chlorosulfonyl)-, NSC23778, NSC44616, EINECS 223-692-8, NSC 23778, NSC 44616, SBB003351

Molecular Formula: C7H5ClO4SMolecular Weight: 220.630200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LMRKXSDOAFUINK-UHFFFAOYSA-N

• 2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
IUPAC Name: (6R)-2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile | CAS Registry Number: 42225-04-7
Synonyms: ZINC00143545

Molecular Formula: C10H12N2SMolecular Weight: 192.280680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VDMBPDMXBJUYMB-ZCFIWIBFSA-N

• 1-cyclopentyhydrazine Hydrochloride
IUPAC Name: cyclopentylhydrazine hydrochloride | CAS Registry Number: 24214-72-0
Synonyms: Cyclopentylhydrazine hydrochloride, Hydrazine, cyclopentyl-, hydrochloride, CID212349, LS-76711, Hydrazine, cyclohexyl-, monohydrochloride (8CI,9CI)

Molecular Formula: C5H13ClN2Molecular Weight: 136.623120 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: GONHTJWVIZVBOU-UHFFFAOYSA-N

• 2,4,6-Triphenyl-1,3,5-triazine
IUPAC Name: 2,4,6-tri(phenyl)-1,3,5-triazine | CAS Registry Number: 493-77-6
Synonyms: Cyaphenine, Kyaphenine, S-Triphenyltriazine, Triphenyl-s-triazine, 2,4,6-Triphenyltriazine, s-Triazine, 2,4,6-triphenyl-, 1,3,5-Triazine, 2,4,6-triphenyl-, 2,4,6-TRIPHENYL-S-TRIAZINE, 259810_ALDRICH, NSC46521, EINECS 207-779-8, NSC 46521, SBB012527, ZINC00074768, s-Triazine, 2,4,6-triphenyl- (8CI), AI3-61032, InChI=1/C21H15N3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-15

Molecular Formula: C21H15N3Molecular Weight: 309.363900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HBQUOLGAXBYZGR-UHFFFAOYSA-N

• 2-Amino-5-bromobenzoic acid
IUPAC Name: 2-amino-5-bromobenzoic acid | CAS Registry Number: 5794-88-7
Synonyms: 5-Bromoanthranilic acid, Anthranilic acid, 5-bromo-, Benzoic acid, 2-amino-5-bromo-, 5-Bromo-2-aminobenzoic acid, MLS000595061, 260118_ALDRICH, 07145_FLUKA, EINECS 227-338-3, NSC97201, BRN 0639028, LS-20453, SMR000184444, TL806222, ST5306845, A-5100, 4-14-00-01081 (Beilstein Handbook Reference), InChI=1/C7H6BrNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11, SX1

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

InChIKey: CUKXRHLWPSBCTI-UHFFFAOYSA-N

• 1-Bromo-4-iodobenzene
IUPAC Name: 1-bromo-4-iodobenzene | CAS Registry Number: 589-87-7
Synonyms: p-Bromoiodobenzene, p-Iodobromobenzene, p-Bromophenyl iodide, Benzene, 1-bromo-4-iodo-, 4-BROMOIODOBENZENE, 238090_ALDRICH, NSC8033, NSC 8033, EINECS 209-662-7, BBV-080402, AI3-09032, InChI=1/C6H4BrI/c7-5-1-3-6(8)4-2-5/h1-4

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

InChIKey: UCCUXODGPMAHRL-UHFFFAOYSA-N

• 3,4-Dimethylbenzaldehyde
IUPAC Name: 3,4-dimethylbenzaldehyde | CAS Registry Number: 5973-71-7
Synonyms: Ambap4839, Benzaldehyde, 3,4-dimethyl-, 3,4-DIMETHYLBENZALDEHYDE, 493856_ALDRICH, EINECS 227-770-2, ZINC02146875

Molecular Formula: C9H10OMolecular Weight: 134.175100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: POQJHLBMLVTHAU-UHFFFAOYSA-N

• 2,5-Dimethyl-1-phenylpyrrole
IUPAC Name: 2,5-dimethyl-1-phenylpyrrole | CAS Registry Number: 83-24-9
Synonyms: Pyrrole, 2,5-dimethyl-1-phenyl-, 1H-Pyrrole, 2,5-dimethyl-1-phenyl-, 2,5-Dimethyl-1-phenyl-1H-pyrrole, EINECS 201-461-2, NSC163170, NSC 163170, Pyrrole, 2,5-dimethyl-1-phenyl- (8CI), ST5406944, InChI=1/C12H13N/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h3-9H,1-2H

Molecular Formula: C12H13NMolecular Weight: 171.238320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JNXIFVSGXLGULI-UHFFFAOYSA-N

• 3-Chloro-N-(chloroacetyl)-4-fluoroaniline
IUPAC Name: 2-chloro-N-(3-chloro-4-fluorophenyl)acetamide | CAS Registry Number: 96980-64-2
Synonyms: ZINC00153687, ALBB-002321, CID735849, SBB002108, 2-chloro-N-(3-chloro-4-fluorophenyl)acetamide

Molecular Formula: C8H6Cl2FNOMolecular Weight: 222.043743 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DJPAQYXQRCWKEH-UHFFFAOYSA-N

• 2,4, 6 Tritertiary Butyl Phenol
IUPAC Name: 2,4,6-tritert-butylphenol | CAS Registry Number: 732-26-3
Synonyms: Voidox, Alkofen B, 2,4,6-Tri-tert-butylphenol, 2,4,6-Tri-t-butylphenol, Phenol, 2,4,6-tri-tert-butyl-, Tris(1,1-dimethylethyl)phenol, CCRIS 5845, TM02, T49409_ALDRICH, Phenol, 2,4,6-tris(1,1-dimethylethyl)-, Phenol, tris(1,1-dimethylethyl)-, 2,4,6-Tris(1,1-dimethylethyl)phenol, EINECS 211-989-5, 2,4,6-Tri-tert-butyl-1-hydroxybenzene, NSC 14459, P 23, NSC14459, ZINC01653034, 2,4,6-TRI(TERT-BUTYL)PHENOL, LS-7245

Molecular Formula: C18H30OMolecular Weight: 262.430200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PFEFOYRSMXVNEL-UHFFFAOYSA-N

• 8-Chloro-1,2,3,4-Tetrahydroisoquinoline Hydrochloride
IUPAC Name: 8-chloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride | CAS Registry Number: 61563-33-5
Synonyms: 8-CHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE, 8-Chloro-1,2,3,4-tetrahydro-isoquinoline HCl, SureCN1124149, MolPort-020-015-572, ACT10758, ANW-61755, AKOS015958702, AG-G-24497, AK-30486, KB-74237, 8-Chhloro-1,2,3,4-tetrahydroisoquinoline hydrochloride, 8-Chloro-1,2,3,4-tetrahydro-isoquinoline hydrochloride

Molecular Formula: C9H11Cl2NMolecular Weight: 204.096340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: PYSJYEZRPVRRLV-UHFFFAOYSA-N

• 2-Hydrazino-4-Methylquinoline
IUPAC Name: (4-methylquinolin-2-yl)hydrazine | CAS Registry Number: 21703-52-6
Synonyms: Enamine_004986, Oprea1_298738, Oprea1_351559, 2-hydrazino-4-methylquinoline, STOCK3S-34406, ZINC00332882, CID818195, IDI1_007573, AF-399/25108037

Molecular Formula: C10H11N3Molecular Weight: 173.214440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FLDYBLAUDDQRAB-UHFFFAOYSA-N

• 4-Perhydroazepinone hydrochloride
IUPAC Name: azepan-4-one;hydrochloride | CAS Registry Number: 50492-22-3
Synonyms: azepan-4-one hydrochloride, Hexahydro-4H-azepin-4-one hydrochloride, AG-F-69801, F2173-0036, PubChem17662, SureCN653029, KSC497A1F, 4-PERHYDROAZEPINONE HCL, CTK3J7012, MolPort-001-768-761, Perhydroazepin-4-one hydrochloride, Hexahydro-4-azepinone Hydrochloride, ACN-S003869, AC-862, ANW-43489, RW3004, VT1100, AKOS015848539, RP21310, AK-26041

Molecular Formula: C6H12ClNOMolecular Weight: 149.618580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: WFTRLIZPJMFJER-UHFFFAOYSA-N

• 1,3-Dibromo-5-Chlorobenzene
IUPAC Name: 1,3-dibromo-5-chlorobenzene | CAS Registry Number: 14862-52-3
Synonyms: 1,3-Dibromo-5-chlorobenzene, 1-Chloro-3,5-dibromobenzene, 129127_ALDRICH, Benzene, 1,3-dibromo-5-chloro-, TPC-I027

Molecular Formula: C6H3Br2ClMolecular Weight: 270.349020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FNKCOUREFBNNHG-UHFFFAOYSA-N

• 2,5-Dimethylbenzenesulfonyl chloride
IUPAC Name: 2,5-dimethylbenzenesulfonyl chloride | CAS Registry Number: 19040-62-1
Synonyms: p-Xylene-2-sulfonyl chloride, ALBB-000984, SBB016604, Benzenesulfonyl chloride, 2,5-dimethyl-, LS-185187

Molecular Formula: C8H9ClO2SMolecular Weight: 204.673860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FZVZUIBYLZZOEW-UHFFFAOYSA-N

• 4-Phenoxybenzenesulfonyl chloride
IUPAC Name: 4-(phenoxy)benzenesulfonyl chloride | CAS Registry Number: 1623-92-3
Synonyms: 4-Phenoxy-benzenesulfonyl chloride, 4PBS-0-0, ALD-N000880, GL-1068

Molecular Formula: C12H9ClO3SMolecular Weight: 268.716060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QIZPONOMFWAPRR-UHFFFAOYSA-N

• 4-Chloro-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine
IUPAC Name: 1-chloro-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidine | CAS Registry Number: 300816-22-2
Synonyms: 4-chloro-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine, 4-Chloro-2,3-dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]indene, 4-chloro-5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene, ZINC00289846, AC1LG6QF, AC1Q3KVG, STOCK1S-88729, CTK4G4375, MolPort-000-145-179, HMS1579D08, SBB031745, STK838715, AKOS000122278, AB06474, AG-E-98473, MCULE-8267305059, BP-10325, KB-72330, BB 0218553, ST50050450

Molecular Formula: C9H7ClN2SMolecular Weight: 210.683280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: JKXJMJPJOYMQSK-UHFFFAOYSA-N

• 2H-Indazole-3-carboxylic acid, 6-iodo-2-methyl-
IUPAC Name: 6-iodo-2-methylindazole-3-carboxylic acid | CAS Registry Number: 1086386-13-1
Synonyms: CTK0G9240, AKOS015958471, 2H-Indazole-3-carboxylicacid, 6-iodo-2-methyl-

Molecular Formula: C9H7IN2O2Molecular Weight: 302.068550 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HDQPZZQPFQBWEJ-UHFFFAOYSA-N

• ({[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}AMINO)ACETIC ACID
IUPAC Name: 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetic acid | CAS Registry Number: 85845-02-9
Synonyms: ({[3-(trifluoromethyl)phenyl]sulfonyl}amino)acetic acid, ST50134311, AC1LF5CX, SureCN745591, AC1Q763H, 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetic Acid, CTK5F5813, MolPort-000-184-416, HMS1788G13, STL307386, AKOS000117869, AG-H-46123, MCULE-9890855054, KB-123814, EN300-08381, N-{[3-(trifluoromethyl)phenyl]sulfonyl}glycine, Glycine,N-[[3-(trifluoromethyl)phenyl]sulfonyl]-, 2-(3-(trifluoromethyl)phenylsulfonamido)acetic acid, 2-[3-(trifluoromethyl)benzenesulfonamido]acetic acid, 2-[[(3-Trifluoromethylphenyl)sulfonyl]amino]aceticacid;

Molecular Formula: C9H8F3NO4SMolecular Weight: 283.224330 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: YSZHCOBVLXGMJQ-UHFFFAOYSA-N

• (4-BROMO-BUTYL)-CYCLOHEXANE
IUPAC Name: 4-bromobutylcyclohexane | CAS Registry Number: 60439-16-9
Synonyms: (4-BROMOBUTYL)CYCLOHEXANE, SureCN79050, (4-Bromo-Butyl)cyclohexane, AGN-PC-00OID9, Cyclohexane, (4-bromobutyl)-, AB1243, ZINC62023161, AKOS013034245, AG-L-62766, MCULE-1688175311, KB-106843, BB 0256465, F9995-1282

Molecular Formula: C10H19BrMolecular Weight: 219.161860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FZFWXUKZEJDCMB-UHFFFAOYSA-N

• 1-CHLORO-4-PHENYLPHTHALAZINE
IUPAC Name: 1-chloro-4-phenylphthalazine | CAS Registry Number: 10132-01-1
Synonyms: 1-Chloro-4-phenyl-phthalazine, TPC-009, MolPort-000-499-426, NSC116340, CID272109, ZINC00390843, PB57114077, I14-8834

Molecular Formula: C14H9ClN2Molecular Weight: 240.687660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WJJDLSHYLZRFDD-UHFFFAOYSA-N

• (2,6-DICHLORO-BENZENESULFONYLAMINO)-ACETIC ACID
IUPAC Name: 2-[(2,6-dichlorophenyl)sulfonylamino]acetate | CAS Registry Number: 19818-06-5
Synonyms: ZINC00074725, CID4119927

Molecular Formula: C8H6Cl2NO4S-Molecular Weight: 283.108540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: QRVMUGYJNLHEJY-UHFFFAOYSA-M

• 1-(1-Benzylpiperidin-4-yl)pyrrolidin-2-one
IUPAC Name: 1-(1-benzylpiperidin-4-yl)pyrrolidin-2-one | CAS Registry Number: 340962-88-1
Synonyms: EN002168, 1-(1-benzylpiperidin-4-yl)pyrrolidin-2-one

Molecular Formula: C16H22N2OMolecular Weight: 258.358680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FCDFVQWVYYQEFO-UHFFFAOYSA-N

• 5-FLUORO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID
IUPAC Name: 5-fluoro-1-benzothiophene-2-carboxylate | CAS Registry Number: 70060-13-8
Synonyms: ZINC00480694, CID6953387

Molecular Formula: C9H4FO2S-Molecular Weight: 195.190263 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PLVPMOSTGNZKQQ-UHFFFAOYSA-M

• 3-(4-FORMYLPHENYL)PROPANOIC ACID
IUPAC Name: 3-(4-formylphenyl)propanoic acid | CAS Registry Number: 34961-64-3
Synonyms: Benzenepropanoic acid,4-formyl-, CTK4H3355, 3-(4-Formyl-phenyl)-propionic acid, STL302078, AKOS006228733, AG-F-20106, MB05763, MCULE-8265326595, RP23948, 3-(4-FORMYLPHENYL)PROPIONIC ACID, AK-34793, KB-27112, FT-0648549, F9995-0363, 4-Formylbenzenepropanoic acid;3-(4-Formylphenyl)propionicacid;

Molecular Formula: C10H10O3Molecular Weight: 178.184600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NRCCSDVEUWXOMG-UHFFFAOYSA-N

• 2-METHOXY-5-NITROBENZOIC ACID
IUPAC Name: 2-methoxy-5-nitrobenzoic acid | CAS Registry Number: 40751-89-1
Synonyms: 2-Methoxy-5-nitrobenzoic acid, MolPort-000-628-173, NSC139931, CID284163, STK498307, TL8002961, PB94677321

Molecular Formula: C8H7NO5Molecular Weight: 197.144880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: CVZUPRDSNNBZLH-UHFFFAOYSA-N

• 2-BENZOTHIAZOLAMINE,5-ETHOXY-
IUPAC Name: 5-ethoxy-1,3-benzothiazol-2-amine | CAS Registry Number: 70066-70-5
Synonyms: ZINC00337925, AC1LGH6A, 5-ethoxybenzothiazole-2-ylamine, 2-Benzothiazolamine, 5-ethoxy-, CTK2H5352, MolPort-003-803-927, 5-ethoxy-1,3-benzothiazol-2-amine, SBB091781, 2-AMINO-5-ETHOXYBENZOTHIAZOLE, AKOS006295730, AG-C-06559, AR-009/42290062

Molecular Formula: C9H10N2OSMolecular Weight: 194.253500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MNJJTXUPEWJFRC-UHFFFAOYSA-N

• 3'-TRIFLUOROMETHYL-BIPHENYL-4-SULFONYL CHLORIDE
IUPAC Name: 4-[3-(trifluoromethyl)phenyl]benzenesulfonyl chloride | CAS Registry Number: 885267-96-9
Synonyms: 3'-(trifluoromethyl)biphenyl-4-sulfonyl chloride, F9995-0469, [1,1'-Biphenyl]-4-sulfonylchloride, 3'-(trifluoromethyl)-, AGN-PC-00VAOR, CTK3E6747, MolPort-001-639-102, STL302111, AKOS000813788, AG-H-56772, MCULE-1847853396, 4-[3-(trifluoromethyl)phenyl]benzenesulfonyl chloride, [1,1A'A inverted exclamation markA'A -BIPHENYL]-4-SULFONYL CHLORIDE, 3A'A inverted exclamation markA'A -(TRIFLUOROMETHYL)-;3A'A inverted exclamation markA'A -TRIFLUOROMETHYL-BIPHENYL-4-SULFONYL CHLORIDE;3A'A inverted exclamation markA'A -(TRIFLUOROMETHYL)[1,1A'A inverted exclamation markA'A -BIPHENYL]-4-SULFONYL CHLORIDE

Molecular Formula: C13H8ClF3O2SMolecular Weight: 320.714630 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: WJSSWLPZDVPLIK-UHFFFAOYSA-N

• 3-ALLYL-5-(4-METHOXYPHENYL)-2-SULFANYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
IUPAC Name: 5-(4-methoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one | CAS Registry Number: 307512-27-2
Synonyms: ZINC00137214, AC1LDZ1Y, ChemDiv1_004606, Oprea1_656804, CTK4G5834, HMS600B08, MolPort-000-222-661, MolPort-000-875-509, AKOS000805684, AKOS001056428, MCULE-8214672452, ST50050566, F0745-0327, T0513-7138, 3-ALLYL-5- -2-SULFANYLTHIENO[2,3-D]PYRIMIDIN-4 -ONE, 5-(4-methoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one, 5-(4-methoxyphenyl)-3-prop-2-enyl-2-thioxo-1,3-dihydrothiopheno[2,3-d]pyrimidi n-4-one, Thieno[2,3-d]pyrimidin-4(1H)-one,2,3-dihydro-5-(4-methoxyphenyl)-3-(2-propen-1-yl)-2-thioxo-

Molecular Formula: C16H14N2O2S2Molecular Weight: 330.424560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UHWZIWBLIDSJDF-UHFFFAOYSA-N

• 3-CHLORO-N-2,3-DIHYDRO-BENZO[B][1,4]DIOXINE-6-YLPROPANAMIDE
IUPAC Name: 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide | CAS Registry Number: 42477-08-7
Synonyms: F1143-4660, 3-chloro-N-2,3-dihydro-1,4-benzodioxin-6-ylpropanamide, 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide, N-(2H,3H-benzo[3,4-e]1,4-dioxan-6-yl)-3-chloropropanamide, ZINC05753187, AC1NOA8B, AC1Q3UG7, CTK4I6270, MolPort-000-223-984, SBB038669, STK449082, AKOS000198459, AG-F-51021, MCULE-5986340919, ST50051424, EN300-24021, T0513-8421, 3-chloro-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propanamide, Propanamide,3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-, Propionamide,N-1,4-benzodioxan-6-yl-3-chloro- (6CI); 1,4-Benzodioxin, propanamide deriv.

Molecular Formula: C11H12ClNO3Molecular Weight: 241.670880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YHRDEJFGHGFMHU-UHFFFAOYSA-N

• 4-(2-METHOXYPHENOXY)ANILINE
IUPAC Name: 4-(2-methoxyphenoxy)aniline | CAS Registry Number: 13066-01-8
Synonyms: 4-(2-methoxyphenoxy)aniline, MolPort-000-869-518, ZINC00858603, ALBB-005578, ZERO/006376, STK347806, CID1121067

Molecular Formula: C13H13NO2Molecular Weight: 215.247820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XFOFRBMGVDBINH-UHFFFAOYSA-N

• 4-(2-METHOXYPHENOXY)PHENYLSULFONYL CHLORIDE
IUPAC Name: 4-(2-methoxyphenoxy)benzenesulfonyl chloride | CAS Registry Number: 690632-30-5
Synonyms: 4-(2-methoxyphenoxy)benzenesulfonyl Chloride, 4-(2-Methoxy-phenoxy)-benzenesulfonyl chloride, AC1MDRPW, CTK2F2533, MolPort-000-145-122, 4PBS-S01-0, AC1Q4736, AR1979, AKOS000164678, AG-C-74183, AG-G-68370, MCULE-5686711064, OR11345, KB-33887, KB-186371, 4-(2-Methoxy-phenoxy)benzenesulfonyl chloride, 4-(2-Methoxyphenoxy)benzenesulphonyl chloride, Benzenesulfonylchloride, 4-(2-methoxyphenoxy)-, 4-(2-methoxyphenoxy)benzene-1-sulfonyl chloride, F9995-0446

Molecular Formula: C13H11ClO4SMolecular Weight: 298.742040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: DKNWPXFCLUKCQB-UHFFFAOYSA-N

• 4-CHLORO-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE
IUPAC Name: 4-chloro-1-phenylpyrazolo[3,4-d]pyrimidine | CAS Registry Number: 5334-48-5
Synonyms: NSC1425, MolPort-000-510-390, CID219752, ZINC01576822, AB00674255-01, F1386-0043

Molecular Formula: C11H7ClN4Molecular Weight: 230.653080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DEUTZSDRCGEUBP-UHFFFAOYSA-N

• 4-CHLORO-7-METHYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE
IUPAC Name: (7R)-4-chloro-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine | CAS Registry Number: 137438-23-4
Synonyms: CID696306, ZINC00071325, ZINC00071328

Molecular Formula: C11H11ClN2SMolecular Weight: 238.736440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZSDWARZBRRSRLT-ZCFIWIBFSA-N

• 5-(PYRROLIDIN-1-YL)TETRAZOLE
IUPAC Name: 5-pyrrolidin-1-yl-2H-tetrazole | CAS Registry Number: 6280-30-4
Synonyms: Ambkt31271, Oprea1_820838, NSC11109, MolPort-001-770-931, CID223444, ZINC15778784

Molecular Formula: C5H9N5Molecular Weight: 139.158460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: GINLRESSJFINLU-UHFFFAOYSA-N

• 5-PHENYL-THIENO[2,3-D]PYRIMIDINE-4-THIOL
IUPAC Name: 5-phenylthieno[2,3-d]pyrimidine-4-thiolate | CAS Registry Number: 182198-89-6
Synonyms: ZINC00244751, CID6940501

Molecular Formula: C12H7N2S2-Molecular Weight: 243.327380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LNOFOMVIGAWPSJ-UHFFFAOYSA-M

• 4-[({[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]benzoic acid
IUPAC Name: 4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzoic acid | CAS Registry Number: 690646-04-9
Synonyms: F3394-1129, AC1M3KYT, CTK2F1771, MolPort-000-646-959, 4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzoic Acid, AKOS000813225, MCULE-6167698930, T5889811, 4-((4-chloro-3-(trifluoromethyl)phenylsulfonamido)methyl)benzoic acid, Benzoicacid, 4-[[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]amino]methyl]-

Molecular Formula: C15H11ClF3NO4SMolecular Weight: 393.765350 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: BURLRZFVGRKQLY-UHFFFAOYSA-N

• 4-Amino[1,1'-biphenyl]-3-carboxylic acid
IUPAC Name: 2-amino-5-phenylbenzoic acid | CAS Registry Number: 4445-40-3
Synonyms: 4-aminobiphenyl-3-carboxylic acid, 2-amino-5-phenylbenzoic acid, F9995-0198, AC1N8ZTQ, AC1Q50QH, SureCN2246915, CTK1D4892, MolPort-000-928-644, ANW-38113, STK039704, AKOS000123993, AG-C-01561, MB03792, MCULE-4837426327, 4-amino-1,1'-biphenyl-3-carboxylic acid, BB 0223085, EN300-40002, [1,1'-Biphenyl]-3-carboxylicacid, 4-amino-, T6296591, [1,1'-BIPHENYL]-3-CARBOXYLIC ACID, 4-AMINO-

Molecular Formula: C13H11NO2Molecular Weight: 213.231940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: MUJQJJYAAYPRHQ-UHFFFAOYSA-N

• 2-Amino-5-(2-methoxyphenoxy)benzoic acid
IUPAC Name: 2-amino-5-(2-methoxyphenoxy)benzoic acid | CAS Registry Number: 885267-99-2
Synonyms: CTK3E6217, AKOS000813840, 2-amino-5-(2-methoxyphenoxy)benzoic acid, Benzoicacid, 2-amino-5-(2-methoxyphenoxy)-, F9995-0544

Molecular Formula: C14H13NO4Molecular Weight: 259.257320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ZPYKKLOXWCXFFN-UHFFFAOYSA-N

• 1-(5-Methoxy-2-methyl-1-benzofuran-3-yl)-1-ethanamine hydrochloride
IUPAC Name: 1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine;hydrochloride | CAS Registry Number: 1182284-36-1
Synonyms: 1-(5-Methoxy-2-methyl-1-benzofuran-3-yl)ethanamine hydrochloride, F2167-0053, AKOS015959205, L-3186

Molecular Formula: C12H16ClNO2Molecular Weight: 241.713940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: DZOINRJHFNMZKT-UHFFFAOYSA-N

• 2-chloro-1-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone
IUPAC Name: 2-chloro-1-[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone | CAS Registry Number: 885268-72-4
Synonyms: F9995-0415, 2-chloro-1-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone, ZINC37327095, AKOS000813749, MCULE-9006507655, L-4181, 2-chloro-1-[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone

Molecular Formula: C14H12Cl3NOMolecular Weight: 316.610180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GRSAFVIUVJUDLJ-UHFFFAOYSA-N

• 1-{[(2,6-difluorophenyl)sulfonyl]amino}cyclohexanecarboxylic acid
IUPAC Name: 1-[(2,6-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid | CAS Registry Number: 885269-15-8
Synonyms: 1-((2,6-difluorophenyl)sulfonamido)cyclohexane-1-carboxylic acid, MolPort-001-639-259, ZINC37405938, AKOS000813595, MCULE-2403969648, AK473309, F9995-0662, 1-(2,6-difluorophenylsulfonamido)cyclohexanecarboxylic acid

Molecular Formula: C13H15F2NO4SMolecular Weight: 319.323 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: UXGHGZYWYRYVFM-UHFFFAOYSA-N

• 1-{[(2,5-dimethylphenyl)sulfonyl]amino}cyclohexanecarboxylic acid
IUPAC Name: 1-[(2,5-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid | CAS Registry Number: 690646-16-3
Synonyms: F3394-1139, AC1LGV50, CTK2F1775, MolPort-000-646-971, AKOS000813272, MCULE-4870615502, T5890023, 1-(2,5-dimethylphenylsulfonamido)cyclohexanecarboxylic acid, 1-(2,5-Dimethylphenylsulfonylamino)cyclohexanecarboxylic acid, 1-[(2,5-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid, Cyclohexanecarboxylic acid, 1-[[(2,5-dimethylphenyl)sulfonyl]amino]-

Molecular Formula: C15H21NO4SMolecular Weight: 311.396540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: HHRGSMBNCDFMLE-UHFFFAOYSA-N


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