CAS Registry Number: 104901-43-1

Name:

Benzoic acid, 3-​bromo-​4-​methyl-​, methyl ester
3-​Bromo-​4-​methylbenzenecarboxy​lic acid methyl ester; 3-​Bromo-​4-​methylbenzoic acid methyl ester; 4-​Methyl-​3-​bromobenzoic acid methyl ester; Methyl 3-​bromo-​4-​methylbenzoate 

Chemical Formula: C9H9BrO2
Exact Mass: 227.98
Molecular Weight: 229.07
m/z: 227.98 (100.0%), 229.98 (97.7%), 228.98 (9.9%), 230.98 (9.6%)
Elemental Analysis: C, 47.19; H, 3.96; Br, 34.88; O, 13.97

InChI: InChI=1S/C9H9BrO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,1-2H3
InChIKey: MASRAGFWFYHMFI-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=C(C=C1)C(=O)OC)Br

Specification

98%

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4. (4) Curran, Dennis P.; Journal of the American Chemical Society 2002, V124(50), P14993-15000 CAPLUS