Name: Name:2-Bromo-5-(methylsulfonyl)-benzoicacid
Brand: Angene
SKU: AG00BJND
Rating: 90 (10 reviews)

2-Bromo-5-(methylsulfonyl)-benzoicacid

CAS No.:

22361-59-7

Catalog Number:

AG00BJND

Molecular Formula:

C8H7BrO4S

Molecular Weight:

279.1078

Catalog Number:

AG00BJND

Chemical Name:

2-Bromo-5-(methylsulfonyl)-benzoicacid

CAS Number:

22361-59-7

Molecular Formula:

C8H7BrO4S

Molecular Weight:

279.1078

MDL Number:

MFCD11179774

IUPAC Name:

2-bromo-5-methylsulfonylbenzoic acid

InChI:

InChI=1S/C8H7BrO4S/c1-14(12,13)5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)

InChI Key:

GBPWZXIQYSSWQC-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(ccc1Br)S(=O)(=O)C

Complexity:

319

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

277.925g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.104g/mol

Monoisotopic Mass:

277.925g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3