3,5-Difluorobenzonitrile

• CAS: 64248-63-1
• Catalog Number: ACM64248631
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 139.1
• Molecular Formula: C7H3F2N
• Synonyms: Benzonitrile, 3,5-difluoro-
• IUPAC Name: 3,5-difluorobenzonitrile
• Canonical SMILES: C1=C(C=C(C=C1F)F)C#N
• InChI: InChI=1S/C7H3F2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
• InChI Key: CQXZSEXZQVKCHW-UHFFFAOYSA-N
• Boiling Point: 160 °C
• Melting Point: 84-86 °C (lit.)
• Density: 1.249 g/ml
• Hazard Statements: H314
• RIDADR: NONH for all modes of transport
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 3,5-Difluorobenzonitrile?

The molecular formula of 3,5-Difluorobenzonitrile is C7H3F2N.

When was the PubChem CID 587204 created and last modified?

The PubChem CID 587204 was created on March 27, 2005, and last modified on December 23, 2023.

What is the IUPAC name of 3,5-Difluorobenzonitrile?

The IUPAC name of 3,5-Difluorobenzonitrile is 3,5-difluorobenzonitrile.

What is the InChIKey of 3,5-Difluorobenzonitrile?

The InChIKey of 3,5-Difluorobenzonitrile is CQXZSEXZQVKCHW-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does 3,5-Difluorobenzonitrile have?

3,5-Difluorobenzonitrile has 3 hydrogen bond acceptor counts.

What is the exact mass of 3,5-Difluorobenzonitrile?

The exact mass of 3,5-Difluorobenzonitrile is 139.02335542 g/mol.

How many defined atom stereocenter counts does 3,5-Difluorobenzonitrile have?

3,5-Difluorobenzonitrile has 0 defined atom stereocenter counts.

What is the topological polar surface area of 3,5-Difluorobenzonitrile?

The topological polar surface area of 3,5-Difluorobenzonitrile is 23.8 2.

Is 3,5-Difluorobenzonitrile a canonicalized compound?

Yes, 3,5-Difluorobenzonitrile is a canonicalized compound.

What is the molecular weight of 3,5-Difluorobenzonitrile?

The molecular weight of 3,5-Difluorobenzonitrile is 139.10 g/mol.