5-Bromo-2-fluorobenzonitrile

• CAS: 179897-89-3
• Catalog Number: ACM179897893
• Category: Bromine Series
• Molecular Weight: 200.01
• Molecular Formula: C7H3BrFN
• Synonyms: Benzonitrile, 5-broMo-2-fluoro-
• IUPAC Name: 5-bromo-2-fluorobenzonitrile
• Canonical SMILES: C1=CC(=C(C=C1Br)C#N)F
• InChI: InChI=1S/C7H3BrFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
• InChI Key: GYCNHFWRPJXTSB-UHFFFAOYSA-N
• Boiling Point: 220.4±20.0 °C
• Melting Point: 76-81 °C
• Density: 1.728 g/ml
• Hazard Statements: H302-H312-H315-H319-H332-H335
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the PubChem CID of 5-Bromo-2-fluorobenzonitrile?

The PubChem CID of 5-Bromo-2-fluorobenzonitrile is 2724900.

What is the molecular formula of 5-Bromo-2-fluorobenzonitrile?

The molecular formula of 5-Bromo-2-fluorobenzonitrile is C7H3BrFN.

What is the molecular weight of 5-Bromo-2-fluorobenzonitrile?

The molecular weight of 5-Bromo-2-fluorobenzonitrile is 200.01 g/mol.

What is the IUPAC name of 5-Bromo-2-fluorobenzonitrile?

The IUPAC name of 5-Bromo-2-fluorobenzonitrile is 5-bromo-2-fluorobenzonitrile.

What is the InChI of 5-Bromo-2-fluorobenzonitrile?

The InChI of 5-Bromo-2-fluorobenzonitrile is InChI=1S/C7H3BrFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H.

What is the InChIKey of 5-Bromo-2-fluorobenzonitrile?

The InChIKey of 5-Bromo-2-fluorobenzonitrile is GYCNHFWRPJXTSB-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Bromo-2-fluorobenzonitrile?

The canonical SMILES of 5-Bromo-2-fluorobenzonitrile is C1=CC(=C(C=C1Br)C#N)F.

What is the CAS number of 5-Bromo-2-fluorobenzonitrile?

The CAS number of 5-Bromo-2-fluorobenzonitrile is 179897-89-3.

What is the XLogP3-AA value of 5-Bromo-2-fluorobenzonitrile?

The XLogP3-AA value of 5-Bromo-2-fluorobenzonitrile is 2.4.

Is 5-Bromo-2-fluorobenzonitrile a canonicalized compound?

Yes, 5-Bromo-2-fluorobenzonitrile is a canonicalized compound.