2-Fluoro-5-(trifluoromethyl)cinnamic acid

Catalog	ACM247113913
CAS	247113-91-3
Structure
Synonyms	3-(2-Fluoro-5-(trifluoromethyl)phenyl)acrylic acid
IUPAC Name	(E)-3-[2-Fluoro-5-(trifluoromethyl)phenyl]prop-2-enoic acid
Molecular Weight	234.15
Molecular Formula	C10H6F4O2
Canonical SMILES	C1=CC(=C(C=C1C(F)(F)F)C=CC(=O)O)F
InChI	InChI=1S/C10H6F4O2/c11-8-3-2-7(10(12,13)14)5-6(8)1-4-9(15)16/h1-5H,(H,15,16)/b4-1+
InChI Key	AUPRFUNTWIUZEA-DAFODLJHSA-N
Boiling Point	281.6ºC at 760mmHg
Melting Point	118-121 °C
Flash Point	124.1ºC
Purity	95%+
Density	1.438g/cm³
Exact Mass	234.03039208
Isomeric SMILES	C1=CC(=C(C=C1C(F)(F)F)/C=C/C(=O)O)F
Monoisotopic Mass	234.03039208
Storage Conditions	2-8 °C
Topological Polar Surface Area	37.3 Ų