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CAS Number: 214759-66-7
methyl 3-chloro-4-cyanobenzoate

Structure

methyl 3-chloro-4-cyanobenzoate
Name: methyl 3-chloro-4-cyanobenzoate
Synonyms:
General Information
Product Number: 214759667

CAS Registry Number 214759-66-7
Name:
Benzoic acid, 3-​chloro-​4-​cyano-​, methyl ester
3-Chloro-4-cyanobenzoic acid methyl ester
Methyl 3-chloro-4-cyanobenzoate

 

Chemical Formula: C9H6ClNO2
Exact Mass: 195.01
Molecular Weight: 195.60
m/z: 195.01 (100.0%), 197.01 (32.4%), 196.01 (10.2%), 198.01 (3.2%)

 

InChI:InChI=1S/C9H6ClNO2/c1-13-9(12)6-2-3-7(5-11)8(10)4-6/h2-4H,1H3

InChI Key:KDNFJYKKFLHZKZ-UHFFFAOYSA-N

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

Specification

98%

References

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

PCT Int. Appl. (2010), WO 2010065760 A1 20100610.                                 

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