2,4,5-TRIFLUOROCINNAMIC ACID

Catalog	ACM247170178
CAS	247170-17-8
Structure
Synonyms	3-(2,4,5-Trifluoro-phenyl)-acrylic acid
IUPAC Name	(E)-3-(2,4,5-Trifluorophenyl)prop-2-enoic acid
Molecular Weight	202.13
Molecular Formula	C9H5F3O2
Canonical SMILES	C1=C(C(=CC(=C1F)F)F)C=CC(=O)O
InChI	InChI=1S/C9H5F3O2/c10-6-4-8(12)7(11)3-5(6)1-2-9(13)14/h1-4H,(H,13,14)/b2-1+
InChI Key	KFVQEUPEGKJFCW-OWOJBTEDSA-N
Boiling Point	271.0±35.0 °C
Melting Point	187-189 °C
Flash Point	117.7ºC
Purity	95%+
Density	1.468±0.06 g/cm³
Exact Mass	202.02416388
Isomeric SMILES	C1=C(C(=CC(=C1F)F)F)/C=C/C(=O)O
Monoisotopic Mass	202.02416388
Storage Conditions	2-8 °C
Topological Polar Surface Area	37.3 Ų