Name: Name:2-[(3-cyanophenyl)methanesulfonyl]benzoic acid
Brand: Angene
SKU: AG01BAUH
Rating: 90 (10 reviews)

2-[(3-cyanophenyl)methanesulfonyl]benzoic acid

CAS No.:

1036549-48-0

Catalog Number:

AG01BAUH

Molecular Formula:

C15H11NO4S

Molecular Weight:

301.3171

Catalog Number:

AG01BAUH

Chemical Name:

2-[(3-cyanophenyl)methanesulfonyl]benzoic acid

CAS Number:

1036549-48-0

Molecular Formula:

C15H11NO4S

Molecular Weight:

301.3171

MDL Number:

MFCD13362234

IUPAC Name:

2-[(3-cyanophenyl)methylsulfonyl]benzoic acid

InChI:

InChI=1S/C15H11NO4S/c16-9-11-4-3-5-12(8-11)10-21(19,20)14-7-2-1-6-13(14)15(17)18/h1-8H,10H2,(H,17,18)

InChI Key:

FRFPVSULJOMVDY-UHFFFAOYSA-N

SMILES:

N#Cc1cccc(c1)CS(=O)(=O)c1ccccc1C(=O)O

Complexity:

528

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

301.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.316g/mol

Monoisotopic Mass:

301.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9