AG003MLW

89979-12-4 | 5-Chloro-2-(methylsulfonamido)benzoic Acid

AG003MLW

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CAS Number	89979-12-4
Catalog Number	AG003MLW(AGN-PC-015UN6)
Chemical Name	5-Chloro-2-(methylsulfonamido)benzoic Acid
IUPAC Name	5-chloro-2-(methanesulfonamido)benzoic acid
InChI	InChI=1S/C8H8ClNO4S/c1-15(13,14)10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,1H3,(H,11,12)
InChI Key	MSJXONVQCMKJDI-UHFFFAOYSA-N
MDL Number	MFCD09047192
Molecular Formula	C8H8ClNO4S
Molecular Weight	249.6714
SMILES	O=C(O)C1=CC(Cl)=CC=C1NS(=O)(C)=O
Synonyms	5-chloro-2-(methylsulfonamido)benzoic acid, 89979-12-4, 5-chloro-2-methanesulfonamidobenzoic acid, 5-chloro-2-[(methylsulfonyl)amino]Benzoic acid, AC1Q4GOZ, SCHEMBL219920, CTK6G7553, KS-00000CPE, 6352AJ, MFCD09047192, ZINC21969040, AKOS000131281, MCULE-3123793379, TRA0085866, AJ-78842, BS-14013, SY015003, 5-Chloro-2-(methylsulfonamido)benzoicAcid, 5-chloro-2-(methanesulfonamido)benzoic acid, DB-078567, TC-307890, CS-0036702, FT-0711152, EN300-60480, Z-4268, MFCD09047192 (97+%), Z55953121, C8H8ClNO4S, 5619-09-0,

Complexity	337
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.986g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	249.665g/mol
Monoisotopic Mass	248.986g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	91.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number