4-Fluoro-2-methylbenzonitrile

• Catalog Number: ACM147754129
• Product Name: 4-Fluoro-2-methylbenzonitrile
• CAS: 147754-12-9
• Category: Aryl Fluorinated Building Blocks
• Synonyms: Benzonitrile, 4-fluoro-2-methyl-
• IUPAC Name: 4-fluoro-2-methylbenzonitrile
• Molecular Weight: 135.14
• Molecular Formula: C8H6FN
• Canonical SMILES: CC1=C(C=CC(=C1)F)C#N
• InChI: InChI=1S/C8H6FN/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,1H3
• InChI Key: BJBXUIUJKPOZLV-UHFFFAOYSA-N
• Boiling Point: 214.6±20.0 °C
• Melting Point: 70-74 °C (lit.)
• Density: 1.11±0.1 g/ml
• Hazard Statements: H301
• RIDADR: NONH for all modes of transport
• Symbol: GHS06

Custom Q&A

What is the molecular formula of 4-Fluoro-2-methylbenzonitrile?

Molecular formula of 4-Fluoro-2-methylbenzonitrile is C8H6FN.

What is the molecular weight of 4-Fluoro-2-methylbenzonitrile?

The molecular weight of 4-Fluoro-2-methylbenzonitrile is 135.14 g/mol.

When was 4-Fluoro-2-methylbenzonitrile first created?

4-Fluoro-2-methylbenzonitrile was first created on September 11, 2005.

What is the IUPAC name of 4-Fluoro-2-methylbenzonitrile?

The IUPAC name of 4-Fluoro-2-methylbenzonitrile is 4-fluoro-2-methylbenzonitrile.

What is the Canonical SMILES representation of 4-Fluoro-2-methylbenzonitrile?

The Canonical SMILES of 4-Fluoro-2-methylbenzonitrile is CC1=C(C=CC(=C1)F)C#N.

Does 4-Fluoro-2-methylbenzonitrile have any hydrogen bond donor count?

No, 4-Fluoro-2-methylbenzonitrile does not have any hydrogen bond donor count.

How many heavy atoms does 4-Fluoro-2-methylbenzonitrile have?

4-Fluoro-2-methylbenzonitrile has 10 heavy atoms.

What is the topological polar surface area of 4-Fluoro-2-methylbenzonitrile?

The topological polar surface area of 4-Fluoro-2-methylbenzonitrile is 23.8 Å^2.

Is 4-Fluoro-2-methylbenzonitrile considered a canonicalized compound?

Yes, 4-Fluoro-2-methylbenzonitrile is canonicalized.

What is the InChIKey of 4-Fluoro-2-methylbenzonitrile?

The InChIKey of 4-Fluoro-2-methylbenzonitrile is BJBXUIUJKPOZLV-UHFFFAOYSA-N.