5-Fluoro-2-methylbenzonitrile

• CAS: 77532-79-7
• Catalog Number: ACM77532797
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 135.14
• Molecular Formula: C8H6FN
• Synonyms: Benzonitrile, 5-fluoro-2-methyl-
• IUPAC Name: 5-fluoro-2-methylbenzonitrile
• Canonical SMILES: CC1=C(C=C(C=C1)F)C#N
• InChI: InChI=1S/C8H6FN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3
• InChI Key: IBRODYNXELBTJC-UHFFFAOYSA-N
• Boiling Point: 230 °C
• Melting Point: 43-45 °C
• Density: 1.12 g/ml
• Hazard Statements: H315-H318-H335
• RIDADR: UN 1993C 3 / PGIII
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 5-Fluoro-2-methylbenzonitrile?

The molecular formula of 5-Fluoro-2-methylbenzonitrile is C8H6FN.

What is the molecular weight of 5-Fluoro-2-methylbenzonitrile?

The molecular weight of 5-Fluoro-2-methylbenzonitrile is 135.14 g/mol.

What is the IUPAC name of 5-Fluoro-2-methylbenzonitrile?

The IUPAC name of 5-Fluoro-2-methylbenzonitrile is 5-fluoro-2-methylbenzonitrile.

What is the InChI key of 5-Fluoro-2-methylbenzonitrile?

The InChI key of 5-Fluoro-2-methylbenzonitrile is IBRODYNXELBTJC-UHFFFAOYSA-N.

What is the canonical SMILES representation of 5-Fluoro-2-methylbenzonitrile?

The canonical SMILES representation of 5-Fluoro-2-methylbenzonitrile is CC1=C(C=C(C=C1)F)C#N.

What is the CAS number of 5-Fluoro-2-methylbenzonitrile?

The CAS number of 5-Fluoro-2-methylbenzonitrile is 77532-79-7.

What is the EC number of 5-Fluoro-2-methylbenzonitrile?

The EC number of 5-Fluoro-2-methylbenzonitrile is 623-177-1.

What is the XLogP3-AA value of 5-Fluoro-2-methylbenzonitrile?

The XLogP3-AA value of 5-Fluoro-2-methylbenzonitrile is 2.1.

How many hydrogen bond donor counts does 5-Fluoro-2-methylbenzonitrile have?

5-Fluoro-2-methylbenzonitrile has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 5-Fluoro-2-methylbenzonitrile have?

5-Fluoro-2-methylbenzonitrile has 2 hydrogen bond acceptor counts.