627-35-0 Purity
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Specification
The PubChem CID for 4-Fluorophenethyl isocyanate is 5204802.
The molecular formula of 4-Fluorophenethyl isocyanate is C9H8FNO.
The molecular weight of 4-Fluorophenethyl isocyanate is 165.16 g/mol.
The IUPAC name of 4-Fluorophenethyl isocyanate is 1-fluoro-4-(2-isocyanatoethyl)benzene.
The InChIKey of 4-Fluorophenethyl isocyanate is FDCHHLBMDMJXGM-UHFFFAOYSA-N.
The canonical SMILES of 4-Fluorophenethyl isocyanate is C1=CC(=CC=C1CCN=C=O)F.
The CAS number of 4-Fluorophenethyl isocyanate is 65535-53-7.
The EC number of 4-Fluorophenethyl isocyanate is 626-506-7.
The XLogP3-AA value of 4-Fluorophenethyl isocyanate is 3.1.
Yes, 4-Fluorophenethyl isocyanate is a canonicalized compound according to PubChem.