CAS
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Specification
The molecular formula is C6H3F2NO3.
The molecular weight is 175.09 g/mol.
The IUPAC name is 2,4-difluoro-5-nitrophenol.
The InChI is InChI=1S/C6H3F2NO3/c7-3-1-4(8)6(10)2-5(3)9(11)12/h1-2,10H.
The InChIKey is SMRYCTJAGPDVEH-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C(=CC(=C1O)F)F)[N+](=O)[O-].
The CAS number is 113512-57-5.
The EC number is 642-816-5.
The hydrogen bond donor count is 1.
The hydrogen bond acceptor count is 5.