AG003F32

162787-61-3 | 2-(Methylsulfonamido)benzoic Acid

AG003F32

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CAS Number	162787-61-3
Catalog Number	AG003F32(AGN-PC-0O4NHF)
Chemical Name	2-(Methylsulfonamido)benzoic Acid
IUPAC Name	2-(methanesulfonamido)benzoic acid
InChI	InChI=1S/C8H9NO4S/c1-14(12,13)9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChI Key	VESLFCBOKMWCRG-UHFFFAOYSA-N
MDL Number	MFCD00590092
Molecular Formula	C8H9NO4S
Molecular Weight	215.2264
SMILES	O=C(O)C1=CC=CC=C1NS(=O)(C)=O
Synonyms	2-(Methylsulfonamido)benzoic Acid, 162787-61-3, 2-Methanesulfonylamino-benzoic acid, 2-[(methylsulfonyl)amino]benzoic acid, 2-methanesulfonamidobenzoic acid, 2-methanesulfonylaminobenzoic acid, 2-(methanesulfonamido)benzoic acid, Benzoic acid, 2-[(methylsulfonyl)amino]-, AC1LFYSE, AC1Q4GQD, ACMC-1CAC2, 2-(Mesylamino)benzoic acid, Oprea1_245939, Oprea1_643482, MLS000105441, SCHEMBL220059, CHEMBL491550, 2-(Methylsulfonamido)benzoicAcid, CTK4D1341, KS-00000CEI, DTXSID30354886, VESLFCBOKMWCRG-UHFFFAOYSA-N, HMS1677C15, HMS2400E07, ZINC283105, ALBB-029572, ANW-22016, BBL009882, MFCD00590092, STK917615, AKOS000117572, 2-[(Methylsulphonyl)amino]benzoic acid, MCULE-2455571176, RTR-006975, TRA0032314, Benzoic acid,2-[(methylsulfonyl)amino]-, AN-31135, BAS 02900731, PS-11374, SMR000102322, SY003549, 2-(METHANESULFONYLAMINO)BENZOICACID, AB0065602, DB-014463, TR-006975, BB 0241922, FT-0649468, ST50267854, V3635, EN300-10272, 2-methanesulfonylamino-benzoic acid, AldrichCPR, Z-0095, MFCD00590092 (97+%), 787M613, I01-13467, Z53825030, C8H9NO4S, CID786039,

Complexity	306
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.025g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	215.223g/mol
Monoisotopic Mass	215.025g/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-P305+P351+P338
UN Code

Certificate of Analysis

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