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CAS Number: 160753-84-4
methyl 3-acetyl-5-bromo-4-hydroxybenzoate

Structure

methyl 3-acetyl-5-bromo-4-hydroxybenzoate
Name: methyl 3-acetyl-5-bromo-4-hydroxybenzoate
Synonyms:
General Information
Product Number: 160753844

CAS Registry Number 160753-84-4
Name:
Benzoic acid, 3-​acetyl-​5-​bromo-​4-​hydroxy-​, methyl ester
Methyl 3-acetyl-5-bromo-4-hydroxybenzoate

 

Chemical Formula: C10H9BrO4
Exact Mass: 271.97
Molecular Weight: 273.08
m/z: 271.97 (100.0%), 273.97 (98.1%), 272.97 (11.1%), 274.97 (10.8%), 275.97 (1.3%)

 

InChI:InChI=1S/C10H9BrO4/c1-5(12)7-3-6(10(14)15-2)4-8(11)9(7)13/h3-4,13H,1-2H3

InChI Key:RUCFCAIVBNFCSY-UHFFFAOYSA-N

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

Specification

98%

References

PCT Int. Appl. (2012), WO 2012140419 A1 20121018. 

Journal of Medicinal Chemistry (2015), 58(2), 943-962.                                  

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