CAS
898391-87-2 Purity
96%
898391-87-2 Purity
96%
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Specification
The molecular formula is C8H5Br2N.
Some synonyms include 89892-38-6, MFCD09261043, and Benzonitrile, 2-bromo-4-(bromomethyl)-.
The molecular weight is 274.94 g/mol.
It was created on October 30, 2011.
It was last modified on December 2, 2023.
The IUPAC name is 2-bromo-4-(bromomethyl)benzonitrile.
The InChI is InChI=1S/C8H5Br2N/c9-4-6-1-2-7(5-11)8(10)3-6/h1-3H,4H2.
The InChIKey is FOVQCPSLQZIRSB-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1CBr)Br)C#N.
The XLogP3-AA value is 2.9.