CAS
6311-37-1 Purity
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6311-37-1 Purity
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The molecular formula is C7H5BrFNO2.
The molecular weight is 234.02 g/mol.
The IUPAC name is 1-bromo-2-fluoro-4-methyl-5-nitrobenzene.
The InChI is InChI=1S/C7H5BrFNO2/c1-4-2-6(9)5(8)3-7(4)10(11)12/h2-3H,1H3.
The InChIKey is MTTNTJRJOFVWSY-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC(=C(C=C1[N+](=O)[O-])Br)F.
The CAS number is 224185-19-7.
The European Community (EC) Number is 625-785-2.
The DSSTox Substance ID is DTXSID70381414.
Yes, it is a canonical compound.