AG00059E

1017051-55-6 | Benzoic acid, 5-methyl-2-[(methylsulfonyl)amino]-

AG00059E

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	1017051-55-6
Catalog Number	AG00059E(AGN-PC-04PP1I)
Chemical Name	Benzoic acid, 5-methyl-2-[(methylsulfonyl)amino]-
IUPAC Name	2-(methanesulfonamido)-5-methylbenzoic acid
InChI	InChI=1S/C9H11NO4S/c1-6-3-4-8(10-15(2,13)14)7(5-6)9(11)12/h3-5,10H,1-2H3,(H,11,12)
InChI Key	IAVAVGYTZPNJLD-UHFFFAOYSA-N
MDL Number	MFCD09945630
Molecular Formula	C9H11NO4S
Molecular Weight	229.2529
SMILES	CC1=CC(C(O)=O)=C(NS(C)(=O)=O)C=C1
Synonyms	5-Methyl-2-(methylsulfonamido)benzoic acid, 1017051-55-6, 5-methyl-2-[(methylsulfonyl)amino]benzoic acid, AC1Q2HR3, SCHEMBL222213, CTK6B6474, KS-00000CPJ, 6378AJ, MFCD09945630, ZINC19506716, AKOS000190255, ACN-049042, MCULE-9634446518, TRA0108655, 2-methanesulfonamido-5-methylbenzoic acid, AJ-73802, AS-31995, SY015006, 5-Methyl-2-(methylsulfonamido)benzoicAcid, 2-(methanesulfonamido)-5-methylbenzoic acid, AB0072290, DB-058651, RT-017096, FT-0722810, EN300-36321, Z-4269, MFCD09945630 (97+%), Benzoic acid, 5-methyl-2-[(methylsulfonyl)amino]-, J-000482, Z367678706, C9H11NO4S,

Complexity	333
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.041g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	229.25g/mol
Monoisotopic Mass	229.041g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	91.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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