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CAS Number: 175596-01-7
methyl 4-cyano-2-fluorobenzoate

Structure

 methyl 4-cyano-2-fluorobenzoate
Name: methyl 4-cyano-2-fluorobenzoate
Synonyms:
General Information
Product Number: 175596017

CAS Registry Number 175596-01-7
Name:
Benzoic acid, 4-?cyano-?2-?fluoro-?, methyl ester
Methyl 4-cyano-2-fluorobenzoate

 

Chemical Formula: C9H6FNO2
Exact Mass: 179.04
Molecular Weight: 179.15
m/z: 179.04 (100.0%), 180.04 (10.2%)

 

InChI:InChI=1S/C9H6FNO2/c1-13-9(12)7-3-2-6(5-11)4-8(7)10/h2-4H,1H3

InChI Key:BTSFXVSAECXZNJ-UHFFFAOYSA-N

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

Specification

98%
References

PCT Int. Appl. (2015), WO 2015030189 A1 20150305.

PCT Int. Appl. (2015), WO 2015025164 A1 20150226.
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