Benzoic acid, 2-cyano-4-fluoro-, methyl ester
CAS Registry Number®
127510-96-7
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CAS Name
Benzoic acid, 2-cyano-4-fluoro-, methyl esterMolecular Formula
C9H6FNO2Molecular Mass
179.15Cite this Page
Benzoic acid, 2-cyano-4-fluoro-, methyl ester. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=127510-96-7 (retrieved ) (CAS RN: 127510-96-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
104-106 °C
Source(s)
- (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
Other Names and Identifiers
InChI
InChI=1S/C9H6FNO2/c1-13-9(12)8-3-2-7(10)4-6(8)5-11/h2-4H,1H3
InChIKey
InChIKey=BCYCPVRVZPDHEC-UHFFFAOYSA-N
SMILES
C(OC)(=O)C1=C(C#N)C=C(F)C=C1
Canonical SMILES
N#CC1=CC(F)=CC=C1C(=O)OC
Other Names for this Substance
- Benzoic acid, 2-cyano-4-fluoro-, methyl ester
- Methyl 2-cyano-4-fluorobenzoate