100367-39-3 Purity
97%
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Specification
The molecular formula is C6H2BrF2NO2.
The synonyms include 2,3-DIFLUORO-4-BROMONITROBENZENE, 1003708-24-4, 1-bromo-2,3-difluoro-4-nitrobenzene, and 4-Bromo-2,3-difluoronitrobenzene.
The computed molecular weight is 237.99 g/mol.
The IUPAC name is 1-bromo-2,3-difluoro-4-nitrobenzene.
The InChI is InChI=1S/C6H2BrF2NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H.
The InChIKey is GXNBBNIEEJTQST-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C(=C1[N+](=O)[O-])F)F)Br.
The CAS number is 1003708-24-4.
The XLogP3-AA value is 2.6.
Yes, 2,3-Difluoro-4-bromonitrobenzene is a canonicalized compound.