Name: Name:Benzoic acid, 3-(chlorosulfonyl)-4,5-dimethyl-
Brand: Angene
SKU: AG001N3W
Rating: 90 (10 reviews)

Benzoic acid, 3-(chlorosulfonyl)-4,5-dimethyl-

CAS No.:

151104-64-2

Catalog Number:

AG001N3W

Molecular Formula:

C9H9ClO4S

Molecular Weight:

248.6834

Catalog Number:

AG001N3W

Chemical Name:

Benzoic acid, 3-(chlorosulfonyl)-4,5-dimethyl-

CAS Number:

151104-64-2

Molecular Formula:

C9H9ClO4S

Molecular Weight:

248.6834

MDL Number:

MFCD06654899

IUPAC Name:

3-chlorosulfonyl-4,5-dimethylbenzoic acid

InChI:

InChI=1S/C9H9ClO4S/c1-5-3-7(9(11)12)4-8(6(5)2)15(10,13)14/h3-4H,1-2H3,(H,11,12)

InChI Key:

QQSJQUSYMFGYHR-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(C)c(c(c1)S(=O)(=O)Cl)C

Complexity:

346

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.991g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.677g/mol

Monoisotopic Mass:

247.991g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2