Name: Name:4-Bromo-5-chlorosulfonyl-2-methoxy-benzoic acid
Brand: Angene
SKU: AG00FGQ8
Rating: 90 (10 reviews)

4-Bromo-5-chlorosulfonyl-2-methoxy-benzoic acid

CAS No.:

72135-35-4

Catalog Number:

AG00FGQ8

Molecular Formula:

C8H6BrClO5S

Molecular Weight:

329.5522

Catalog Number:

AG00FGQ8

Chemical Name:

4-Bromo-5-chlorosulfonyl-2-methoxy-benzoic acid

CAS Number:

72135-35-4

Molecular Formula:

C8H6BrClO5S

Molecular Weight:

329.5522

MDL Number:

MFCD22421777

IUPAC Name:

4-bromo-5-chlorosulfonyl-2-methoxybenzoic acid

InChI:

InChI=1S/C8H6BrClO5S/c1-15-6-3-5(9)7(16(10,13)14)2-4(6)8(11)12/h2-3H,1H3,(H,11,12)

InChI Key:

GAFUXRFGHZXDFV-UHFFFAOYSA-N

SMILES:

COc1cc(Br)c(cc1C(=O)O)S(=O)(=O)Cl

Complexity:

365

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

327.881g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

329.545g/mol

Monoisotopic Mass:

327.881g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1