Name: Name:Benzoic acid, 2-chloro-4-[(methylsulfonyl)amino]-
Brand: Angene
SKU: AG001QB2
Rating: 90 (10 reviews)

Benzoic acid, 2-chloro-4-[(methylsulfonyl)amino]-

CAS No.:

158579-73-8

Catalog Number:

AG001QB2

Molecular Formula:

C8H8ClNO4S

Molecular Weight:

249.6714

Catalog Number:

AG001QB2

Chemical Name:

Benzoic acid, 2-chloro-4-[(methylsulfonyl)amino]-

CAS Number:

158579-73-8

Molecular Formula:

C8H8ClNO4S

Molecular Weight:

249.6714

MDL Number:

MFCD14659025

IUPAC Name:

2-chloro-4-(methanesulfonamido)benzoic acid

InChI:

InChI=1S/C8H8ClNO4S/c1-15(13,14)10-5-2-3-6(8(11)12)7(9)4-5/h2-4,10H,1H3,(H,11,12)

InChI Key:

JJPZWTSCHWHTEH-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1Cl)NS(=O)(=O)C

Complexity:

337

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.986g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.665g/mol

Monoisotopic Mass:

248.986g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2