2-Bromo-5-fluorocinnamic acid

Catalog	ACM202865701
CAS	202865-70-1
Structure
Synonyms	3-(2-Bromo-5-fluorophenyl)-2-propenoic acid
IUPAC Name	(E)-3-(2-Bromo-5-fluorophenyl)prop-2-enoic acid
Molecular Weight	245.04
Molecular Formula	C9H6BrFO2
Canonical SMILES	C1=CC(=C(C=C1F)C=CC(=O)O)Br
InChI	InChI=1S/C9H6BrFO2/c10-8-3-2-7(11)5-6(8)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
InChI Key	AWWFJLNOEZAVHZ-DAFODLJHSA-N
Boiling Point	332.0±27.0 °C
Melting Point	188-192 °C
Flash Point	154.6ºC
Purity	95%+
Density	1.685±0.06 g/cm³
Exact Mass	243.95352
Isomeric SMILES	C1=CC(=C(C=C1F)/C=C/C(=O)O)Br
Monoisotopic Mass	243.95352
Storage Conditions	2-8 °C
Topological Polar Surface Area	37.3 Ų