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The molecular formula of 3-Bromo-4-fluorobenzeneacetonitrile is C8H5BrFN.
The molecular weight of 3-Bromo-4-fluorobenzeneacetonitrile is 214.03 g/mol.
The IUPAC name of 3-Bromo-4-fluorobenzeneacetonitrile is 2-(3-bromo-4-fluorophenyl)acetonitrile.
The InChI of 3-Bromo-4-fluorobenzeneacetonitrile is InChI=1S/C8H5BrFN/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5H,3H2.
The InChIKey of 3-Bromo-4-fluorobenzeneacetonitrile is ORKCKZRBHXMWBO-UHFFFAOYSA-N.
The canonical SMILES of 3-Bromo-4-fluorobenzeneacetonitrile is C1=CC(=C(C=C1CC#N)Br)F.
The CAS number of 3-Bromo-4-fluorobenzeneacetonitrile is 501420-63-9.
The EC number of 3-Bromo-4-fluorobenzeneacetonitrile is 846-887-5.
The XLogP3-AA value of 3-Bromo-4-fluorobenzeneacetonitrile is 2.4.
Yes, 3-Bromo-4-fluorobenzeneacetonitrile is a canonicalized compound.
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