CAS
914613-36-8 Purity
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914613-36-8 Purity
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Specification
The molecular formula is C8H7FN2O3.
The molecular weight is 198.15 g/mol.
The IUPAC name is 2-fluoro-N-methyl-4-nitrobenzamide.
The InChI is InChI=1S/C8H7FN2O3/c1-10-8(12)6-3-2-5(11(13)14)4-7(6)9/h2-4H,1H3,(H,10,12).
The InChIKey is CWGRZEVFBBAKCD-UHFFFAOYSA-N.
The canonical SMILES is CNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])F.
The CAS number is 915087-24-0.
The hydrogen bond donor count is 1.
The hydrogen bond acceptor count is 4.
Yes, it is a canonicalized compound.