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CAS Number: 398119-27-2
3-bromo-5-formylbenzoic acid

Structure

3-bromo-5-formylbenzoic acid
Name: 3-bromo-5-formylbenzoic acid
Synonyms:
General Information
Product Number: 398119272

CAS Registry Number 398119-27-2
Name:
Benzoic acid, 3-​bromo-​5-​formyl-
3-Formyl-5-bromobenzoic acid
5-Bromo-3-formylbenzoic acid

 

Chemical Formula: C8H5BrO3
Exact Mass: 227.94
Molecular Weight: 229.03
m/z: 227.94 (100.0%), 229.94 (97.3%), 228.95 (8.8%), 230.94 (8.5%)

 

InChI:InChI=1S/C8H5BrO3/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-4H,(H,11,12)

InChI Key:NQFXEXFUWOVHGW-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C(C=C1C(=O)O)Br)C=O

Specification

98%

References

PCT Int. Appl. (2009), WO 2009109904 A1 20090911. 

PCT Int. Appl. (2009), WO 2009110985 A2 20090911.                                  

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