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CAS Number: 1000341-35-4
methyl 3-(tert-butyl)-5-chlorobenzoate

Structure

 methyl 3-(tert-butyl)-5-chlorobenzoate
Name: methyl 3-(tert-butyl)-5-chlorobenzoate
Synonyms:
General Information
Product Number: 1000341354

CAS Registry Number 1000341-35-4
Name:
Benzoic acid, 3-?chloro-?5-?(1,?1-?dimethylethyl)?-?, methyl ester

 

Chemical Formula: C12H15ClO2
Exact Mass: 226.08
Molecular Weight: 226.70
m/z: 226.08 (100.0%), 228.07 (32.0%), 227.08 (13.2%), 229.08 (4.3%), 228.08 (1.2%)

 

InChI:InChI=1S/C12H15ClO2/c1-12(2,3)9-5-8(11(14)15-4)6-10(13)7-9/h5-7H,1-4H3

InChI Key:OSMNCWVECZHFFL-UHFFFAOYSA-N

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

Specification

98%
References

PCT Int. Appl. (2011), WO 2011033045 A1 20110324.                                 
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