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Specification
The molecular formula of 4-Chloro-2-fluoro-1-nitrobenzene is C6H3ClFNO2.
The molecular weight of 4-Chloro-2-fluoro-1-nitrobenzene is 175.54 g/mol.
The IUPAC name of 4-Chloro-2-fluoro-1-nitrobenzene is 4-chloro-2-fluoro-1-nitrobenzene.
The InChI of 4-Chloro-2-fluoro-1-nitrobenzene is InChI=1S/C6H3ClFNO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H.
The InChIKey of 4-Chloro-2-fluoro-1-nitrobenzene is PTCPUGKKWNMITF-UHFFFAOYSA-N.
The canonical SMILES of 4-Chloro-2-fluoro-1-nitrobenzene is C1=CC(=C(C=C1Cl)F)[N+](=O)[O-].
The CAS number of 4-Chloro-2-fluoro-1-nitrobenzene is 700-37-8.
The EC number of 4-Chloro-2-fluoro-1-nitrobenzene is 211-842-5.
The DSSTox Substance ID of 4-Chloro-2-fluoro-1-nitrobenzene is DTXSID40220260.
Yes, 4-Chloro-2-fluoro-1-nitrobenzene is a canonicalized compound.