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CAS Number: 327056-71-3
3-chloro-5-cyanobenzoic acid

Structure

3-chloro-5-cyanobenzoic acid
Name: 3-chloro-5-cyanobenzoic acid
Synonyms:
General Information
Product Number: 327056713

CAS Registry Number 327056-71-3
Name:
Benzoic acid, 3-​chloro-​5-​cyano-
3-Chloro-5-cyanobenzoic acid

 

Chemical Formula: C8H4ClNO2
Exact Mass: 180.99
Molecular Weight: 181.58
m/z: 180.99 (100.0%), 182.99 (32.0%), 182.00 (8.8%), 183.99 (2.9%)

 

InChI:InChI=1S/C8H4ClNO2/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3H,(H,11,12)

InChI Key:CAZBPYYWJAVBMY-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C(C=C1C(=O)O)Cl)C#N

Specification

98%

References

PCT Int. Appl. (2009), WO 2009078983 A1 20090625.

PCT Int. Appl. (2002), WO 2002068417 A2 20020906.                                  

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