trans-2,5-Difluorocinnamic acid

Catalog	ACM112898336
CAS	112898-33-6
Structure
Synonyms	(2E)-3-(2,5-Difluorophenyl)-2-propenoic acid
IUPAC Name	(E)-3-(2,5-Difluorophenyl)prop-2-enoic acid
Molecular Weight	184.14
Molecular Formula	C9H6BrFO2
Canonical SMILES	C1=CC(=C(C=C1F)C=CC(=O)O)F
InChI	InChI=1S/C9H6F2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
InChI Key	XAWHCSKPALFWBI-DAFODLJHSA-N
Boiling Point	278.5±25.0 °C
Melting Point	138-140 °C
Purity	95%+
Density	1.3056 g/mL at 25 °C(lit.)
Exact Mass	184.03358575
Isomeric SMILES	C1=CC(=C(C=C1F)/C=C/C(=O)O)F
Monoisotopic Mass	184.03358575
Topological Polar Surface Area	37.3 Ų