3-Chloro-4-fluorobenzonitrile

• CAS: 117482-84-5
• Catalog Number: ACM117482845
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 155.56
• Molecular Formula: C7H3ClFN
• Synonyms: Benzonitrile, 3-chloro-4-fluoro-
• IUPAC Name: 3-chloro-4-fluorobenzonitrile
• Canonical SMILES: C1=CC(=C(C=C1C#N)Cl)F
• InChI: InChI=1S/C7H3ClFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H
• InChI Key: VAHXXQJJZKBZDX-UHFFFAOYSA-N
• Boiling Point: 135 °C 65mmHg
• Melting Point: 69-71 °C (lit.)
• Density: 1.376 g/ml
• Hazard Statements: H302-H315-H319-H335
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 3-Chloro-4-fluorobenzonitrile?

The molecular formula of 3-Chloro-4-fluorobenzonitrile is C7H3ClFN.

When was the PubChem CID 145525 created?

The PubChem CID 145525 was created on August 8, 2005.

What is the IUPAC name of 3-Chloro-4-fluorobenzonitrile?

The IUPAC name of 3-Chloro-4-fluorobenzonitrile is 3-chloro-4-fluorobenzonitrile.

What is the Canonical SMILES representation of 3-Chloro-4-fluorobenzonitrile?

The Canonical SMILES representation of 3-Chloro-4-fluorobenzonitrile is C1=CC(=C(C=C1C#N)Cl)F.

When was the PubChem CID 145525 last modified?

The PubChem CID 145525 was last modified on December 23, 2023.

What is the molecular weight of 3-Chloro-4-fluorobenzonitrile?

The molecular weight of 3-Chloro-4-fluorobenzonitrile is 155.55 g/mol.

How many hydrogen bond acceptor counts does 3-Chloro-4-fluorobenzonitrile have?

3-Chloro-4-fluorobenzonitrile has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of 3-Chloro-4-fluorobenzonitrile?

The topological polar surface area of 3-Chloro-4-fluorobenzonitrile is 23.8 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the Isotope Atom Count of 3-Chloro-4-fluorobenzonitrile?

The Isotope Atom Count of 3-Chloro-4-fluorobenzonitrile is 0.