3-(3-Bromo-4-fluoro-phenyl)-acrylic acid

CAS	160434-49-1
Structure
Synonyms	3-Bromo-4-fluorocinnamic acid
IUPAC Name	(E)-3-(3-Bromo-4-fluorophenyl)prop-2-enoic acid
Molecular Weight	245.04
Canonical SMILES	C1=CC(=C(C=C1C=CC(=O)O)Br)F
InChI	InChI=1S/C9H6BrFO2/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChI Key	ZNIGVADAKXOMQH-DUXPYHPUSA-N
Boiling Point	337.4±32.0 °C
Melting Point	189-192 °C
Purity	95%+
Density	1.6228 g/cm³ at 25 °C(lit.)
Exact Mass	243.95352
Isomeric SMILES	C1=CC(=C(C=C1/C=C/C(=O)O)Br)F
Monoisotopic Mass	243.95352
Refractive Index	n20/D 1.424(lit.)
Topological Polar Surface Area	37.3 Ų