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CAS Number: 318528-55-1
methyl 3-bromo-4-isopropylbenzoate

Structure

 methyl 3-bromo-4-isopropylbenzoate
Name: methyl 3-bromo-4-isopropylbenzoate
Synonyms:
General Information
Product Number: 318528551

CAS Registry Number 318528-55-1
Name:
Benzoic acid, 3-?bromo-?4-?(1-?methylethyl)?-?, methyl ester

 

Chemical Formula: C11H13BrO2
Exact Mass: 256.01
Molecular Weight: 257.12
m/z: 256.01 (100.0%), 258.01 (97.7%), 257.01 (12.0%), 259.01 (11.8%), 260.01 (1.0%)

 

InChI:InChI=1S/C11H13BrO2/c1-7(2)9-5-4-8(6-10(9)12)11(13)14-3/h4-7H,1-3H3

InChI Key:KVBRRJZVELPSOL-UHFFFAOYSA-N

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

Specification

98%
References

PCT Int. Appl. (2015), WO 2015144799 A1 20151001.                                  

PCT Int. Appl. (2015), WO 2015144801 A1 20151001.                                  
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