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CAS Number: 161796-10-7
3-bromo-5-(methoxycarbonyl)benzoic acid

Structure

3-bromo-5-(methoxycarbonyl)benzoic acid
Name: 3-bromo-5-(methoxycarbonyl)benzoic acid
Synonyms:
General Information
Product Number: 161796107

CAS Registry Number 161796-10-7
Name:
1,​3-​Benzenedicarboxylic acid, 5-​bromo-​, 1-​methyl ester
1,3-Benzenedicarboxylic acid, 5-bromo-, monomethyl ester (9CI)
3-Bromo-5-(methoxycarbonyl)benzoic acid
5-Bromoisophthalic acid monomethyl ester

 

Chemical Formula: C9H7BrO4
Exact Mass: 257.95
Molecular Weight: 259.05
m/z: 257.95 (100.0%), 259.95 (97.3%), 258.96 (10.0%), 260.95 (9.6%), 259.96 (1.3%)

 

InChI:InChI=1S/C9H7BrO4/c1-14-9(13)6-2-5(8(11)12)3-7(10)4-6/h2-4H,1H3,(H,11,12)

InChI Key:QIXJVAGZPJKDGY-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 191-193 °C   (1)CAS

Specification

98%

References
  1. (1) Choi, Kihang; Journal of the American Chemical Society 2003, V125(34), P10241-10249 CAPLUS
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