AG00GVOL

874622-79-4 | 4-[(methylamino)carbonyl]benzenesulfonyl chloride

AG00GVOL

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CAS Number	874622-79-4
Catalog Number	AG00GVOL(AGN-PC-0WB5W9)
Chemical Name	4-[(methylamino)carbonyl]benzenesulfonyl chloride
IUPAC Name	4-(methylcarbamoyl)benzenesulfonyl chloride
InChI	InChI=1S/C8H8ClNO3S/c1-10-8(11)6-2-4-7(5-3-6)14(9,12)13/h2-5H,1H3,(H,10,11)
InChI Key	BNMWGTKOMIXMRX-UHFFFAOYSA-N
MDL Number	MFCD07691322
Molecular Formula	C8H8ClNO3S
Molecular Weight	233.6720
SMILES	S(=O)(=O)(Cl)c1ccc(cc1)C(=O)NC
Synonyms	874622-79-4, 4-(Methylcarbamoyl)benzene-1-sulfonyl chloride, 4-[(methylamino)carbonyl]benzenesulfonyl chloride, 4-(methylcarbamoyl)benzenesulfonyl chloride, AC1Q40KU, SCHEMBL17899598, CTK6I4239, DTXSID20585344, 3856AC, ANW-74925, KM2518, MFCD07691322, STL220219, AKOS000118424, ZINC100053771, MCULE-5978269971, BS-13921, DB-076962, RT-009905, FT-0751484, ST45244015, EN300-15349, [4-(chlorosulfonyl)phenyl]-N-methylcarboxamide, 4-[(methylamino)carbonyl]benzenesulfonyl chloride(SALTDATA, C8H8ClNO3S, 4-(Methylcarbamoyl)benzene-1-sulfonylchloride, 24242-97-5,

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.991g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	233.666g/mol
Monoisotopic Mass	232.991g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	71.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

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