2-Fluoro-6-iodobenzonitrile

• Catalog Number: ACM79544299
• Product Name: 2-Fluoro-6-iodobenzonitrile
• CAS: 79544-29-9
• Category: Aryl Fluorinated Building Blocks
• Synonyms: 2-Cyano-3-fluoro-1-iodobenzene
• IUPAC Name: 2-fluoro-6-iodobenzonitrile
• Molecular Weight: 247.01
• Molecular Formula: C7H3FIN
• Canonical SMILES: C1=CC(=C(C(=C1)I)C#N)F
• InChI: InChI=1S/C7H3FIN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
• InChI Key: FAACTMVXBNSPJA-UHFFFAOYSA-N
• Boiling Point: 271.3±25.0 °C
• Melting Point: 49-53 °C
• Density: 1.98±0.1 g/ml
• Hazard Statements: H314
• RIDADR: UN 2206PSN1B 6.1 / PGIII
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 2-Fluoro-6-iodobenzonitrile?

The molecular formula is C7H3FIN.

What is the molecular weight of 2-Fluoro-6-iodobenzonitrile?

The molecular weight is 247.01 g/mol.

What is the IUPAC name of 2-Fluoro-6-iodobenzonitrile?

The IUPAC name is 2-fluoro-6-iodobenzonitrile.

What is the InChI of 2-Fluoro-6-iodobenzonitrile?

The InChI is InChI=1S/C7H3FIN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H.

What is the InChIKey of 2-Fluoro-6-iodobenzonitrile?

The InChIKey is FAACTMVXBNSPJA-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Fluoro-6-iodobenzonitrile?

The canonical SMILES is C1=CC(=C(C(=C1)I)C#N)F.

What is the CAS number of 2-Fluoro-6-iodobenzonitrile?

The CAS number is 79544-29-9.

How many hydrogen bond donor count does 2-Fluoro-6-iodobenzonitrile have?

It has 0 hydrogen bond donor count.

How many hydrogen bond acceptor count does 2-Fluoro-6-iodobenzonitrile have?

It has 2 hydrogen bond acceptor count.

Is 2-Fluoro-6-iodobenzonitrile considered as a canonicalized compound?

Yes, it is considered as a canonicalized compound.