CAS Registry Number: 370867-85-9

Name:

2-​Propenoic acid, 3-​(3-​bromo-​4-​fluorophenyl)​-​, (2E)​-

Chemical Formula: C9H6BrFO2
Exact Mass: 243.95
Molecular Weight: 245.05
m/z: 243.95 (100.0%), 245.95 (97.3%), 244.96 (9.9%), 246.95 (9.5%)

InChI: InChI=1S/C17H12O3/c18-16-15(13-9-5-2-6-10-13)14(20-17(16)19)11-12-7-3-1-4-8-12/h1-11,18H/b14-11+
InChIKey: LNDFHYYSUASBFX-SDNWHVSQSA-N
Canonical SMILES : C1=CC=C(C=C1)C=C2C(=C(C(=O)O2)O)C3=CC=CC=C3
Isomeric SMILES: C1=CC=C(C=C1)/C=C/2\C(=C(C(=O)O2)O)C3=CC=CC=C3

Specification

98%

PCT Int. Appl. (2008), WO 2008157741 A1 20081224.                                 

PCT Int. Appl. (2008), WO 2008110008 A1 20080918.