CAS
1024054-68-9 Purity
96%
1024054-68-9 Purity
96%
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Specification
The molecular formula is C8H6FNO.
The molecular weight is 151.14 g/mol.
The IUPAC name is 1-fluoro-3-(isocyanatomethyl)benzene.
The InChI is InChI=1S/C8H6FNO/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H2.
The InChIKey is PHRJTGPFEAUEBC-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=CC(=C1)F)CN=C=O.
The CAS number is 102422-56-0.
The EC number is 627-796-8.
The XLogP3 value is 3.1.
Yes, it is a covalently-bonded unit with a count of 1.