3-Bromobenzene carboxylic acid

CAS	585-76-2
Structure
Description	3-Bromobenzoic acid is a marine derived natural products found in Tubastraea micranthus.
Synonyms	m-Carboxybenzyl bromide
IUPAC Name	3-Bromobenzoic acid
Molecular Weight	201.02
Canonical SMILES	C1=CC(=CC(=C1)Br)C(=O)O
InChI	InChI=1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChI Key	VOIZNVUXCQLQHS-UHFFFAOYSA-N
Boiling Point	>280 °C
Melting Point	155-158 °C (lit.)
Purity	95%+
Density	1.948 g/cm³
Complexity	136
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	199.94729
Heavy Atom Count	10
Monoisotopic Mass	199.94729
Physical State	Powder
Refractive Index	n20/D 1.608
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	37.3 Ų