Name: Name:Benzoic acid, 3-bromo-5-methoxy-2-methyl-
Brand: Angene
SKU: AG001BQ5
Rating: 90 (10 reviews)

Benzoic acid, 3-bromo-5-methoxy-2-methyl-

CAS No.:

13979-61-8

Catalog Number:

AG001BQ5

Molecular Formula:

C9H9BrO3

Molecular Weight:

245.0700

Catalog Number:

AG001BQ5

Chemical Name:

Benzoic acid, 3-bromo-5-methoxy-2-methyl-

CAS Number:

13979-61-8

Molecular Formula:

C9H9BrO3

Molecular Weight:

245.0700

MDL Number:

MFCD00267662

IUPAC Name:

3-bromo-5-methoxy-2-methylbenzoic acid

InChI:

InChI=1S/C9H9BrO3/c1-5-7(9(11)12)3-6(13-2)4-8(5)10/h3-4H,1-2H3,(H,11,12)

InChI Key:

PYVLOORQWWPGCY-UHFFFAOYSA-N

SMILES:

COc1cc(Br)c(c(c1)C(=O)O)C

Complexity:

195

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.974g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.072g/mol

Monoisotopic Mass:

243.974g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5