3-Bromo-5-methoxybenzonitrile

• CAS: 867366-91-4
• Catalog Number: ACM867366914
• Category: Bromine Series
• Molecular Weight: 212.04
• Molecular Formula: C8H6 Br N O
• Synonyms: 3-BROMO-5-METHOXY BENZONITRILE;3-BROMO-5-METHOXYBENZOTRILE;3-BROMO-5-METHOXYBENZONITRILE,98%
• IUPAC Name: 3-bromo-5-methoxybenzonitrile
• Canonical SMILES: COC1=CC(=CC(=C1)C#N)Br
• InChI Key: NNWRYZGZCCTKQW-UHFFFAOYSA-N
• Boiling Point: 253.5ºC at 760 mmHg
• Flash Point: 107.1ºC
• Density: 1.56 g/cm³
• Exact Mass: 210.96300
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 3-Bromo-5-methoxybenzonitrile?

The molecular formula of 3-Bromo-5-methoxybenzonitrile is C8H6BrNO.

What is the molecular weight of 3-Bromo-5-methoxybenzonitrile?

The molecular weight of 3-Bromo-5-methoxybenzonitrile is 212.04 g/mol.

What is the IUPAC name of 3-Bromo-5-methoxybenzonitrile?

The IUPAC name of 3-Bromo-5-methoxybenzonitrile is 3-bromo-5-methoxybenzonitrile.

What is the InChI of 3-Bromo-5-methoxybenzonitrile?

The InChI of 3-Bromo-5-methoxybenzonitrile is InChI=1S/C8H6BrNO/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4H,1H3.

What is the InChIKey of 3-Bromo-5-methoxybenzonitrile?

The InChIKey of 3-Bromo-5-methoxybenzonitrile is NNWRYZGZCCTKQW-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Bromo-5-methoxybenzonitrile?

The canonical SMILES of 3-Bromo-5-methoxybenzonitrile is COC1=CC(=CC(=C1)C#N)Br.

What is the CAS number of 3-Bromo-5-methoxybenzonitrile?

The CAS number of 3-Bromo-5-methoxybenzonitrile is 867366-91-4.

What is the EC number of 3-Bromo-5-methoxybenzonitrile?

The EC number of 3-Bromo-5-methoxybenzonitrile is 805-507-8.

Is 3-Bromo-5-methoxybenzonitrile a canonicalized compound?

Yes, 3-Bromo-5-methoxybenzonitrile is a canonicalized compound.