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CAS Number: 174417-54-0
2-bromo-5-methoxy-3-methylbenzoic acid

Structure

2-bromo-5-methoxy-3-methylbenzoic acid
Name: 2-bromo-5-methoxy-3-methylbenzoic acid
Synonyms:
General Information
Product Number: 174417540

CAS Registry Number 174417-54-0
Name:
Benzoic acid, 2-​bromo-​5-​methoxy-​3-​methyl-
2-Bromo-3-methyl-5-methoxybenzoic acid

 

Chemical Formula: C9H9BrO3
Exact Mass: 243.97
Molecular Weight: 245.07
m/z: 243.97 (100.0%), 245.97 (97.3%), 244.98 (10.0%), 246.97 (9.5%), 245.98 (1.1%), 247.98 (1.0%)

 

InChI:InChI=1S/C9H9BrO3/c1-5-3-6(13-2)4-7(8(5)10)9(11)12/h3-4H,1-2H3,(H,11,12)

InChI Key:OEHDWSKLTWRFOM-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C(=CC(=C1)OC)C(=O)O)Br

 

Thermal Properties Value Condition Note
Melting Point 129 °C   (2)CAS
Melting Point See full text   (1)CAS

Specification

98%

References
  1. (1) Holzwarth, Richard; Chemistry - A European Journal 2004, V10(16), P3931-3935 CAPLUS
  2. (2) Solladie, Guy; Journal of Organic Chemistry 1998, V63(12), P3895-3898 CAPLUS
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