Benzoic acid, 3-bromo-4,5-dihydroxy-, methyl ester

CAS	65841-10-3
Description	Methyl 3-bromo-4,5-dihydroxybenzoate is a marine derived natural products found in Rhodomela confervoides.
Synonyms	Methyl 3,4-dihydroxy-5-bromobenzoate
IUPAC Name	Methyl 3-bromo-4,5-dihydroxybenzoate
Molecular Weight	247.04
Canonical SMILES	COC(=O)C1=CC(=C(C(=C1)Br)O)O
InChI	InChI=1S/C8H7BrO4/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,10-11H,1H3
InChI Key	TZTKLMUXAITOOF-UHFFFAOYSA-N
Purity	95%+
Complexity	197
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	245.95277
Heavy Atom Count	13
Monoisotopic Mass	245.95277
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	66.8 Ų