4-Bromo-2-fluorocinnamic acid

Catalog	ACM149947193
CAS	149947-19-3
Structure
IUPAC Name	(E)-3-(4-Bromo-2-fluorophenyl)prop-2-enoic acid
Molecular Weight	245.04
Canonical SMILES	C1=CC(=C(C=C1Br)F)C=CC(=O)O
InChI	InChI=1S/C9H6BrFO2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChI Key	SVJGKQYKYNDYMU-DUXPYHPUSA-N
Boiling Point	337.5±27.0 °C
Melting Point	219-223 °C
Purity	95%+
Density	1.6228 g/cm³ at 25 °C(lit.)
Exact Mass	243.95352
Isomeric SMILES	C1=CC(=C(C=C1Br)F)/C=C/C(=O)O
Monoisotopic Mass	243.95352
Refractive Index	n20/D 1.424(lit.)
Topological Polar Surface Area	37.3 Ų