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CAS Number: 41177-72-4
5-bromo-2,3-dihydrobenzofuran-7-carboxylic acid

Structure

 5-bromo-2,3-dihydrobenzofuran-7-carboxylic acid
Name: 5-bromo-2,3-dihydrobenzofuran-7-carboxylic acid
Synonyms:
General Information
Product Number: 41177724

CAS Registry Number 41177-72-4
Name:
7-?Benzofurancarboxylic acid, 5-?bromo-?2,?3-?dihydro-
5-Bromo-2,3-dihydro-1-benzofuran-7-carboxylic acid
5-Bromo-2,3-dihydrobenzofuran-7-carboxylic acid

 

Chemical Formula: C9H7BrO3
Exact Mass: 241.96
Molecular Weight: 243.05
m/z: 241.96 (100.0%), 243.96 (98.3%), 242.96 (9.9%), 244.96 (9.7%), 245.96 (1.0%)

 

InChI:InChI=1S/C9H7BrO3/c10-6-3-5-1-2-13-8(5)7(4-6)9(11)12/h3-4H,1-2H2,(H,11,12)

InChI Key:LEBMKAXASFPSFA-UHFFFAOYSA-N

Canonical SMILES:C1COC2=C1C=C(C=C2C(=O)O)Br

 

Thermal Properties Value Condition Note
Melting Point 232-234 °C Solv: ethyl acetate (141-78-6) (2)IC
Melting Point 228-229 °C Solv: ethyl acetate (141-78-6) (3)IC

Specification

98%
References
  1. (2) Hoegberg, Thomas; Journal of Medicinal Chemistry 1990, V33(8), P2305-9 CAPLUS
  2. (3) Lednicer, Daniel; EP 234872 A1 1987 CAPLUS
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