92566-45-5 Purity
96%
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The molecular formula of 4-Bromo-2-cyanobenzeneacetonitrile is C9H5BrN2.
The synonyms for 4-Bromo-2-cyanobenzeneacetonitrile are 925672-89-5, 5-bromo-2-(cyanomethyl)benzonitrile, MFCD09999218, and Benzeneacetonitrile, 4-bromo-2-cyano-.
The molecular weight of 4-Bromo-2-cyanobenzeneacetonitrile is 221.05 g/mol.
The IUPAC name of 4-Bromo-2-cyanobenzeneacetonitrile is 5-bromo-2-(cyanomethyl)benzonitrile.
The InChI of 4-Bromo-2-cyanobenzeneacetonitrile is InChI=1S/C9H5BrN2/c10-9-2-1-7(3-4-11)8(5-9)6-12/h1-2,5H,3H2.
The InChIKey of 4-Bromo-2-cyanobenzeneacetonitrile is JFJQZQISHKWUQJ-UHFFFAOYSA-N.
The canonical SMILES of 4-Bromo-2-cyanobenzeneacetonitrile is C1=CC(=C(C=C1Br)C#N)CC#N.
The CAS number of 4-Bromo-2-cyanobenzeneacetonitrile is 925672-89-5.
The molecular weight of 4-Bromo-2-cyanobenzeneacetonitrile according to PubChem is 221.05 g/mol.
Yes, 4-Bromo-2-cyanobenzeneacetonitrile is a canonicalized compound according to PubChem.