150517-77-4 Purity
96%
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Specification
The molecular formula of 4-Cyano-2-fluorobenzoic acid is C8H4FNO2.
The molecular weight of 4-Cyano-2-fluorobenzoic acid is 165.12 g/mol.
The IUPAC name of 4-Cyano-2-fluorobenzoic acid is 4-cyano-2-fluorobenzoic acid.
The InChI of 4-Cyano-2-fluorobenzoic acid is InChI=1S/C8H4FNO2/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3H,(H,11,12).
The InChIKey of 4-Cyano-2-fluorobenzoic acid is KEJMSTJTAWACNI-UHFFFAOYSA-N.
The canonical SMILES of 4-Cyano-2-fluorobenzoic acid is C1=CC(=C(C=C1C#N)F)C(=O)O.
The CAS number of 4-Cyano-2-fluorobenzoic acid is 164149-28-4.
The European Community (EC) Number of 4-Cyano-2-fluorobenzoic acid is 626-661-0.
The DSSTox Substance ID of 4-Cyano-2-fluorobenzoic acid is DTXSID00343580.
Yes, 4-Cyano-2-fluorobenzoic acid is a canonicalized compound according to PubChem.