4-Fluoro-3-(trifluoromethyl)cinnamic acid

Catalog	ACM239463902
CAS	239463-90-2
Structure
Synonyms	3-(4-Fluoro-3-(trifluoromethyl)phenyl)acrylic acid
IUPAC Name	(E)-3-[4-Fluoro-3-(trifluoromethyl)phenyl]prop-2-enoic acid
Molecular Weight	234.15
Molecular Formula	C10H6F4O2
Canonical SMILES	C1=CC(=C(C=C1C=CC(=O)O)C(F)(F)F)F
InChI	InChI=1S/C10H6F4O2/c11-8-3-1-6(2-4-9(15)16)5-7(8)10(12,13)14/h1-5H,(H,15,16)/b4-2+
InChI Key	DESJUJUEXMNIGB-DUXPYHPUSA-N
Boiling Point	294ºC at 760 mmHg
Melting Point	141-144 °C
Flash Point	131.6ºC
Purity	95%+
Density	1.438g/cm³
Exact Mass	234.03039208
Isomeric SMILES	C1=CC(=C(C=C1/C=C/C(=O)O)C(F)(F)F)F
Monoisotopic Mass	234.03039208
Storage Conditions	2-8 °C
Topological Polar Surface Area	37.3 Ų