4,4'-Biphenyldicarbonitrile

• CAS: 1591-30-6
• Catalog Number: ACM1591306
• Category: Other
• Molecular Weight: 204.23g/mol
• Molecular Formula: C14H8N2
• IUPAC Name: 4-(4-cyanophenyl)benzonitrile
• Canonical SMILES: C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N
• InChI: InChI=1S/C14H8N2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H
• InChI Key: KAXYYLCSSXFXKR-UHFFFAOYSA-N
• Melting Point: 238.0 °C
• Complexity: 279
• Covalently-Bonded Unit Count: 1
• EC Number: 216-468-6
• Exact Mass: 204.068748g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 16
• Monoisotopic Mass: 204.068748g/mol
• NSC Number: 87879
• Rotatable Bond Count: 1
• XLogP3: 3.8

Custom Q&A

What is the molecular formula of 4,4'-Biphenyldicarbonitrile?

The molecular formula of 4,4'-Biphenyldicarbonitrile is C15H28O2.

When was the PubChem CID for 4,4'-Biphenyldicarbonitrile created?

The PubChem CID for 4,4'-Biphenyldicarbonitrile was created on 2005-03-27.

What is the IUPAC Name of 4,4'-Biphenyldicarbonitrile?

The IUPAC Name of 4,4'-Biphenyldicarbonitrile is cyclododecyl propanoate.

What is the InChIKey of 4,4'-Biphenyldicarbonitrile?

The InChIKey of 4,4'-Biphenyldicarbonitrile is FFBFQWUCOCYWIH-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does 4,4'-Biphenyldicarbonitrile have?

4,4'-Biphenyldicarbonitrile has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of 4,4'-Biphenyldicarbonitrile?

The topological polar surface area of 4,4'-Biphenyldicarbonitrile is 26.3Ų.

How many heavy atoms are present in 4,4'-Biphenyldicarbonitrile?

There are 17 heavy atoms present in 4,4'-Biphenyldicarbonitrile.

Does 4,4'-Biphenyldicarbonitrile have any defined atom stereocenter count?

No, 4,4'-Biphenyldicarbonitrile does not have any defined atom stereocenter count.

How many rotatable bond counts does 4,4'-Biphenyldicarbonitrile have?

4,4'-Biphenyldicarbonitrile has 3 rotatable bond counts.

Is the compound canonicalized for 4,4'-Biphenyldicarbonitrile?

Yes, the compound is canonicalized for 4,4'-Biphenyldicarbonitrile.