CAS Registry Number: 57381-43-8

Name:

Benzoic acid, 2,​5-​dibromo-​, methyl ester
Methyl 2,​5-​dibromobenzoate 

Chemical Formula: C8H6Br2O2
Exact Mass: 291.87
Molecular Weight: 293.94
m/z: 293.87 (100.0%), 291.87 (51.4%), 295.87 (48.6%), 294.87 (8.7%), 292.88 (4.5%), 296.87 (4.2%)
Elemental Analysis: C, 32.69; H, 2.06; Br, 54.37; O, 10.89

InChI: InChI=1S/C8H6Br2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
InChIKey: RBCUIRIGTNHLPS-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=CC(=C1)Br)Br

Specification

98%

1. (1) Verma, Akhilesh K.; Journal of Organic Chemistry 2010, V75(22), P7691-7703 CAPLUS