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CAS Number: 1643-30-7
3-(4-bromophenyl)propanoic acid

Structure

3-(4-bromophenyl)propanoic acid
Name: 3-(4-bromophenyl)propanoic acid
Synonyms:
General Information
Product Number: 1643307

CAS Registry Number 1643-30-7
Name:
Benzenepropanoic acid, 4-​bromo-
Hydrocinnamic acid, p-bromo- (7CI,8CI)
3-(4-Bromophenyl)propanoic acid
3-(4-Bromophenyl)propionic acid
4-Bromobenzenepropanoic acid
4-Bromobenzenepropionic acid

 

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%)

 

InChI:InChI=1S/C9H9BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)

InChI Key:NCSTWHYWOVZDOC-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC=C1CCC(=O)O)Br

Specification

98%

References
  1. (1) Ballatore, Carlo; Journal of Medicinal Chemistry 2011, V54(19), P6969-6983 CAPLUS
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