69418-26-4 Purity
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Specification
The PubChem CID of 1-(Bromomethyl)-4-nitro-2-(trifluoromethyl)benzene is 46838761.
The molecular formula of 1-(Bromomethyl)-4-nitro-2-(trifluoromethyl)benzene is C8H5BrF3NO2.
The molecular weight of 1-(Bromomethyl)-4-nitro-2-(trifluoromethyl)benzene is 284.03 g/mol.
The IUPAC name of 1-(Bromomethyl)-4-nitro-2-(trifluoromethyl)benzene is 1-(bromomethyl)-4-nitro-2-(trifluoromethyl)benzene.
The InChI of 1-(Bromomethyl)-4-nitro-2-(trifluoromethyl)benzene is InChI=1S/C8H5BrF3NO2/c9-4-5-1-2-6(13(14)15)3-7(5)8(10,11)12/h1-3H,4H2.
The InChIKey of 1-(Bromomethyl)-4-nitro-2-(trifluoromethyl)benzene is UOKRVPVMHIHVQM-UHFFFAOYSA-N.
The canonical SMILES of 1-(Bromomethyl)-4-nitro-2-(trifluoromethyl)benzene is C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)CBr.
The CAS number of 1-(Bromomethyl)-4-nitro-2-(trifluoromethyl)benzene is 694499-22-4.
The European Community (EC) number of 1-(Bromomethyl)-4-nitro-2-(trifluoromethyl)benzene is 839-336-5.
Yes, 1-(Bromomethyl)-4-nitro-2-(trifluoromethyl)benzene is a canonicalized compound.