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CAS Number: 560131-64-8
methyl 3-bromo-5-(tert-butyl)benzoate

Structure

 methyl 3-bromo-5-(tert-butyl)benzoate
Name: methyl 3-bromo-5-(tert-butyl)benzoate
Synonyms:
General Information
Product Number: 560131648

CAS Registry Number 560131-64-8
Name:
Benzoic acid, 3-?bromo-?5-?(1,?1-?dimethylethyl)?-?, methyl ester
Methyl 5-tert-butyl-3-bromobenzoate

 

Chemical Formula: C12H15BrO2
Exact Mass: 270.03
Molecular Weight: 271.15
m/z: 270.03 (100.0%), 272.02 (97.3%), 271.03 (13.2%), 273.03 (12.9%), 272.03 (1.2%), 274.03 (1.2%)

 

InChI:InChI=1S/C12H15BrO2/c1-12(2,3)9-5-8(11(14)15-4)6-10(13)7-9/h5-7H,1-4H3

InChI Key:XKPPDPWHRHLELX-UHFFFAOYSA-N

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

Specification

98%
References

PCT Int. Appl. (2012), WO 2012120476 A1 20120913.                                 

PCT Int. Appl. (2005), WO 2005021500 A1 20050310. 
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