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CAS Number: 327056-74-6
3-cyano-5-fluorobenzoic acid

Structure

3-cyano-5-fluorobenzoic acid
Name: 3-cyano-5-fluorobenzoic acid
Synonyms:
General Information
Product Number: 327056746

CAS Registry Number 327056-74-6
Name:
Benzoic acid, 3-​cyano-​5-​fluoro-
3-Cyano-5-fluorobenzoic acid
3-Fluoro-5-cyanobenzoic acid

 

Chemical Formula: C8H4FNO2
Exact Mass: 165.02
Molecular Weight: 165.12
m/z: 165.02 (100.0%), 166.03 (8.8%)

 

InChI:InChI=1S/C8H4FNO2/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3H,(H,11,12)

InChI Key:HADZSOZVTCEMNP-UHFFFAOYSA-N

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

Specification

98%

References

PCT Int. Appl. (2014), WO 2014184234 A1 20141120.                                  

PCT Int. Appl. (2014), WO 2014100540 A1 20140626. 

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