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CAS Number: 1123582-06-8
methyl 2-chloro-3-(cyanomethyl)benzoate

Structure

methyl 2-chloro-3-(cyanomethyl)benzoate
Name: methyl 2-chloro-3-(cyanomethyl)benzoate
Synonyms:
General Information
Product Number: 1123582068

CAS Registry Number 1123582-06-8
Name:
Benzoic acid, 2-​chloro-​3-​(cyanomethyl)​-​, methyl ester
2-Chloro-3-(cyanomethyl)benzoic acid methyl ester
Methyl 2-chloro-3-(cyanomethyl)benzoate

 

Chemical Formula: C10H8ClNO2
Exact Mass: 209.02
Molecular Weight: 209.63
m/z: 209.02 (100.0%), 211.02 (32.0%), 210.03 (11.0%), 212.02 (3.6%)

 

InChI:InChI=1S/C24H22N4O3/c1-4-17-8-5-6-10-21(17)28-23(30)20(22(29)26-24(28)31)13-18-12-15(2)27(16(18)3)19-9-7-11-25-14-19/h5-14H,4H2,1-3H3,(H,26,29,31)

InChI Key:UNNCOOYUDZNGIZ-UHFFFAOYSA-N

Canonical SMILES:CCC1=CC=CC=C1N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CN=CC=C4)C)C(=O)NC2=O

Specification

98%

References

PCT Int. Appl. (2009), WO 2009028629 A1 20090305. 

PCT Int. Appl. (2009), WO 2009025358 A1 20090226.

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