3-Chloro-5-fluorobenzonitrile

• CAS: 327056-73-5
• Catalog Number: ACM327056735
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 155.56
• Molecular Formula: C7H3ClFN
• Synonyms: Benzonitrile, 3-chloro-5-fluoro-
• IUPAC Name: 3-chloro-5-fluorobenzonitrile
• Canonical SMILES: C1=C(C=C(C=C1F)Cl)C#N
• InChI: InChI=1S/C7H3ClFN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
• InChI Key: GIKLRWNRBOLRDV-UHFFFAOYSA-N
• Boiling Point: 195.0±20.0 °C
• Melting Point: 54-59 °C
• Density: 1.33±0.1 g/ml
• Hazard Statements: H302-H319
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular weight of 3-Chloro-5-fluorobenzonitrile?

The molecular weight of 3-Chloro-5-fluorobenzonitrile is 155.55 g/mol.

When was 3-Chloro-5-fluorobenzonitrile created on PubChem?

3-Chloro-5-fluorobenzonitrile was created on July 19, 2005.

What is the IUPAC name of 3-Chloro-5-fluorobenzonitrile?

The IUPAC name of 3-Chloro-5-fluorobenzonitrile is 3-chloro-5-fluorobenzonitrile.

What is the Canonical SMILES of 3-Chloro-5-fluorobenzonitrile?

The Canonical SMILES of 3-Chloro-5-fluorobenzonitrile is C1=C(C=C(C=C1F)Cl)C#N.

How many hydrogen bond acceptors does 3-Chloro-5-fluorobenzonitrile have?

3-Chloro-5-fluorobenzonitrile has 2 hydrogen bond acceptors.

What is the topological polar surface area of 3-Chloro-5-fluorobenzonitrile?

The topological polar surface area of 3-Chloro-5-fluorobenzonitrile is 23.8 Ų.

Is 3-Chloro-5-fluorobenzonitrile a canonicalized compound?

Yes, 3-Chloro-5-fluorobenzonitrile is a canonicalized compound.

What is the InChIKey of 3-Chloro-5-fluorobenzonitrile?

The InChIKey of 3-Chloro-5-fluorobenzonitrile is GIKLRWNRBOLRDV-UHFFFAOYSA-N.

How many rotatable bond counts does 3-Chloro-5-fluorobenzonitrile have?

3-Chloro-5-fluorobenzonitrile has 0 rotatable bond counts.

What is the European Community (EC) Number of 3-Chloro-5-fluorobenzonitrile?

The European Community (EC) Number of 3-Chloro-5-fluorobenzonitrile is 627-695-9.