459-22-3 Purity
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Specification
The molecular formula of 2-Fluorophenethyl isocyanate is C9H8FNO.
The molecular weight of 2-Fluorophenethyl isocyanate is 165.16 g/mol.
The IUPAC name of 2-Fluorophenethyl isocyanate is 1-fluoro-2-(2-isocyanatoethyl)benzene.
The InChI of 2-Fluorophenethyl isocyanate is InChI=1S/C9H8FNO/c10-9-4-2-1-3-8(9)5-6-11-7-12/h1-4H,5-6H2.
The InChIKey of 2-Fluorophenethyl isocyanate is CWAAEUQHLYIEBC-UHFFFAOYSA-N.
The canonical SMILES of 2-Fluorophenethyl isocyanate is C1=CC=C(C(=C1)CCN=C=O)F.
The CAS number of 2-Fluorophenethyl isocyanate is 480439-39-2.
The EC number of 2-Fluorophenethyl isocyanate is 624-996-7.
The XLogP3-AA value of 2-Fluorophenethyl isocyanate is 3.1.
Yes, 2-Fluorophenethyl isocyanate is a canonicalized compound.