AG00BCTY

3119-02-6 | 4-CYANOBENZENE-1-SULFONAMIDE

AG00BCTY

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CAS Number	3119-02-6
Catalog Number	AG00BCTY(AGN-PC-0JLQ47)
Chemical Name	4-CYANOBENZENE-1-SULFONAMIDE
EC Number	221-492-5
IUPAC Name	4-cyanobenzenesulfonamide
InChI	InChI=1S/C7H6N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H2,9,10,11)
InChI Key	UZECCNDOASGYNH-UHFFFAOYSA-N
MDL Number	MFCD00178767
Molecular Formula	C7H6N2O2S
Molecular Weight	182.1997
NSC Number	77086
SMILES	NS(=O)(=O)C1=CC=C(C=C1)C#N
Synonyms	4-cyanobenzenesulfonamide, 3119-02-6, 4-cyanobenzene-1-sulfonamide, 4-Cyanobenzenesulphonamide, p-Cyanobenzenesulfonamide, Benzenesulfonamide, p-cyano-, 4-Cyano-benzenesulfonamide, Benzenesulfonamide, 4-cyano-, p-Cyanobenzenesulphonamide, 4-Cyanobenzene-1sulfonamide, CHEMBL178209, EINECS 221-492-5, NSC 77086, BRN 2093857, MFCD00178767, NSC77086, Benzenesulfonamide, 4-cyano- (9CI), 4-Sulphamoylbenzonitrile, WLN: ZSWR DCN, 4-cyano-1-sulfamoylbenzene, AC1L2R6S, AC1Q55AD, Benzenesulfonamide,4-cyano-, SCHEMBL329973, 4-(Aminosulphonyl)benzonitrile, CTK4G6535, ZINC39566, DTXSID50185119, UZECCNDOASGYNH-UHFFFAOYSA-N, KS-00003OJ2, ANW-74550, BBL100474, BDBM50423784, NSC-77086, SBB055423, STL554268, AKOS000142201, MCULE-7470972700, MS-2304, 4-cyanobenzene-1-sulfonamide, AldrichCPR, AJ-08867, AK-46408, LS-31458, ZB001155, DB-037954, TR-013282, FT-0634677, FT-0654098, ST50949954, EN300-15037, C-6262, 79355-EP2305695A2, 79355-EP2305696A2, 79355-EP2305697A2, 79355-EP2305698A2, 4-11-00-00694 (Beilstein Handbook Reference), I09-1036, I01-13054, F2158-2262, Benzenesulfonamide,3-cyano-, CID76566, MFCD02089633, 4-Cyanobenzene-1-sulfonamide, 97% - 250MG 250mg, 3118-68-1,

Complexity	287
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.015g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.197g/mol
Monoisotopic Mass	182.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	92.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number