2-Fluoro-6-methoxybenzonitrile

• CAS: 94088-46-7
• Catalog Number: ACM94088467
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 151.14
• Molecular Formula: C8H6FNO
• Synonyms: Benzonitrile, 2-fluoro-6-Methoxy-
• IUPAC Name: 2-fluoro-6-methoxybenzonitrile
• Canonical SMILES: COC1=C(C(=CC=C1)F)C#N
• InChI: InChI=1S/C8H6FNO/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,1H3
• InChI Key: YPMSIWYNTPSPMV-UHFFFAOYSA-N
• Boiling Point: 232.1±20.0 °C
• Melting Point: 103-105 °C (lit.)
• Flash Point: 94.1ºC
• Density: 1.18±0.1 g/ml
• Exact Mass: 151.04300
• Hazard Statements: H302
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Packing Group: III
• RIDADR: UN 2206PSN1B 6.1 / PGIII
• Safety Description: S26-S36
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

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

The molecular formula of 2-Fluoro-6-methoxybenzonitrile is C8H6FNO.

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

The molecular weight of 2-Fluoro-6-methoxybenzonitrile is 151.14 g/mol.

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

The IUPAC name of 2-Fluoro-6-methoxybenzonitrile is 2-fluoro-6-methoxybenzonitrile.

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

The CAS number of 2-Fluoro-6-methoxybenzonitrile is 94088-46-7.

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

The InChIKey of 2-Fluoro-6-methoxybenzonitrile is YPMSIWYNTPSPMV-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in 2-Fluoro-6-methoxybenzonitrile?

There are 0 hydrogen bond donor counts in 2-Fluoro-6-methoxybenzonitrile.

How many hydrogen bond acceptor counts are there in 2-Fluoro-6-methoxybenzonitrile?

There are 3 hydrogen bond acceptor counts in 2-Fluoro-6-methoxybenzonitrile.

What is the topological polar surface area of 2-Fluoro-6-methoxybenzonitrile?

The topological polar surface area of 2-Fluoro-6-methoxybenzonitrile is 33.2.

How many rotatable bond counts are there in 2-Fluoro-6-methoxybenzonitrile?

There is 1 rotatable bond count in 2-Fluoro-6-methoxybenzonitrile.

Is 2-Fluoro-6-methoxybenzonitrile a canonicalized compound?

Yes, 2-Fluoro-6-methoxybenzonitrile is a canonicalized compound.