4-Fluorophthalonitrile

• CAS: 65610-14-2
• Catalog Number: ACM65610142
• Category: Phenols
• Molecular Weight: 146.12g/mol
• Molecular Formula: C8H3FN2
• IUPAC Name: 4-fluorobenzene-1,2-dicarbonitrile
• Canonical SMILES: C1=CC(=C(C=C1F)C#N)C#N
• InChI: InChI=1S/C8H3FN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H
• InChI Key: QQEKYCCJLSRLEC-UHFFFAOYSA-N
• Complexity: 231
• Covalently-Bonded Unit Count: 1
• Exact Mass: 146.028026g/mol
• Formal Charge: 0
• Hazard Statements: H301-H319
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 11
• Monoisotopic Mass: 146.028026g/mol
• RIDADR: UN 3265 8 / PGIII
• Rotatable Bond Count: 0
• Symbol: GHS06
• XLogP3: 1.5

Custom Q&A

What is the molecular formula of 4-Fluorophthalonitrile?

The molecular formula of 4-Fluorophthalonitrile is C8H3FN2.

What is the molecular weight of 4-Fluorophthalonitrile?

The molecular weight of 4-Fluorophthalonitrile is 146.12 g/mol.

When was 4-Fluorophthalonitrile created?

4-Fluorophthalonitrile was created on July 9, 2005.

What is the IUPAC name of 4-Fluorophthalonitrile?

The IUPAC name of 4-Fluorophthalonitrile is 4-fluorobenzene-1,2-dicarbonitrile.

What is the InChI of 4-Fluorophthalonitrile?

The InChI of 4-Fluorophthalonitrile is InChI=1S/C8H3FN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H.

What is the InChIKey of 4-Fluorophthalonitrile?

The InChIKey of 4-Fluorophthalonitrile is QQEKYCCJLSRLEC-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Fluorophthalonitrile?

The canonical SMILES of 4-Fluorophthalonitrile is C1=CC(=C(C=C1F)C#N)C#N.

What is the CAS number of 4-Fluorophthalonitrile?

The CAS number of 4-Fluorophthalonitrile is 65610-14-2.

How many hydrogen bond donor counts does 4-Fluorophthalonitrile have?

4-Fluorophthalonitrile has 0 hydrogen bond donor counts.

What is the topological polar surface area of 4-Fluorophthalonitrile?

The topological polar surface area of 4-Fluorophthalonitrile is 47.6Ų.