CAS Registry Number: 90484-53-0

Name:

Benzoic acid, 3-​bromo-​4-​formyl-​, methyl ester
Terephthalaldehydic acid, 3-​bromo-​, methyl ester (7CI); Methyl 3-​bromo-​4-​formylbenzoate 

Chemical Formula: C9H7BrO3
Exact Mass: 241.96
Molecular Weight: 243.05
m/z: 241.96 (100.0%), 243.96 (98.3%), 242.96 (9.9%), 244.96 (9.7%), 245.96 (1.0%)
Elemental Analysis: C, 44.47; H, 2.90; Br, 32.87; O, 19.75

InChI: InChI=1S/C9H7BrO3/c1-13-9(12)6-2-3-7(5-11)8(10)4-6/h2-5H,1H3
InChIKey: OILDTPUIIUEPFL-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=C(C=C1)C=O)Br

Specification

98%

1. (1) Augustine, John Kallikat; Tetrahedron 2007, V64(4), P688-695 CAPLUS