CAS Registry Number 583837-71-2
Name:
1H-?2-?Benzopyran-?3-?carboxylic acid, 6-?bromo-?1-?oxo-?4-?phenyl-?, methyl ester
6-Bromo-4-phenyl-3-isocoumarincarboxylic acid methyl ester\

Chemical Formula: C17H11BrO4
Exact Mass: 357.98
Molecular Weight: 359.17
m/z: 357.98 (100.0%), 359.98 (97.3%), 358.99 (18.7%), 360.99 (18.4%), 359.99 (2.5%), 361.99 (2.4%)

InChI:InChI=1S/C17H11BrO4/c1-21-17(20)15-14(10-5-3-2-4-6-10)13-9-11(18)7-8-12(13)16(19)22-15/h2-9H,1H3

InChI Key:KCVVKGULKHHXAX-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)O1)C3=CC=CC=C3

Specification

98%

PCT Int. Appl. (2003), WO 2003068750 A1 20030821.

Bioorganic & Medicinal Chemistry (2008), 16(8), 4715-4732.