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CAS Number: 117738-74-6
methyl 4-bromo-3-chlorobenzoate

Structure

 methyl 4-bromo-3-chlorobenzoate
Name: methyl 4-bromo-3-chlorobenzoate
Synonyms:
General Information
Product Number: 117738746

CAS Registry Number 117738-74-6
Name:
Benzoic acid, 4-?bromo-?3-?chloro-?, methyl ester
4-Bromo-3-chlorobenzoic acid methyl ester
Methyl 4-bromo-3-chlorobenzoate

 

Chemical Formula: C8H6BrClO2
Exact Mass: 247.92
Molecular Weight: 249.49
m/z: 249.92 (100.0%), 247.92 (77.4%), 251.92 (24.1%), 248.93 (6.8%), 250.93 (6.7%), 250.92 (2.1%), 252.92 (2.1%)

 

InChI:InChI=1S/C8H6BrClO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3

InChI Key:BPJMNAWSHVKGHE-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=CC(=C(C=C1)Br)Cl

Specification

98%
References

PCT Int. Appl. (2014), WO 2014142255 A1 20140918.                                  

PCT Int. Appl. (2012), WO 2012098132 A1 20120726. 
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