Name: Name:Benzeneacetic acid, 2-bromo-4-hydroxy-5-methoxy-
Brand: Angene
SKU: AG0022XY
Rating: 90 (10 reviews)

Benzeneacetic acid, 2-bromo-4-hydroxy-5-methoxy-

CAS No.:

181517-98-6

Catalog Number:

AG0022XY

Molecular Formula:

C9H9BrO4

Molecular Weight:

261.0694

Catalog Number:

AG0022XY

Chemical Name:

Benzeneacetic acid, 2-bromo-4-hydroxy-5-methoxy-

CAS Number:

181517-98-6

Molecular Formula:

C9H9BrO4

Molecular Weight:

261.0694

MDL Number:

MFCD00079715

IUPAC Name:

2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetic acid

InChI:

InChI=1S/C9H9BrO4/c1-14-8-2-5(3-9(12)13)6(10)4-7(8)11/h2,4,11H,3H2,1H3,(H,12,13)

InChI Key:

WXCVKEBRBISILO-UHFFFAOYSA-N

SMILES:

COc1cc(CC(=O)O)c(cc1O)Br

Complexity:

209

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.968g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.071g/mol

Monoisotopic Mass:

259.968g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7