CAS
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Specification
The molecular formula is C14H11ClN2.
The compound was created on 2005-07-19 and was last modified on 2023-11-25.
The IUPAC Name is 2-(4-amino-2-chlorophenyl)-2-phenylacetonitrile.
The Canonical SMILES is C1=CC=C(C=C1)C(C#N)C2=C(C=C(C=C2)N)Cl.
The InChIKey is ISOPQUKKXCXJIJ-UHFFFAOYSA-N.
The molecular weight is 242.70 g/mol.
It has 1 hydrogen bond donor count.
The topological polar surface area is 49.8Ų.
There are 17 heavy atoms in the compound.
Yes, the compound is canonicalized.