4-Bromo-2-methoxybenzonitrile

• Catalog Number: ACM330793389
• Product Name: 4-Bromo-2-methoxybenzonitrile
• CAS: 330793-38-9
• Category: Bromine Series
• Synonyms: Benzonitrile, 4-bromo-2-methoxy-
• IUPAC Name: 4-bromo-2-methoxybenzonitrile
• Molecular Weight: 212.04
• Molecular Formula: C8H6BrNO
• Canonical SMILES: COC1=C(C=CC(=C1)Br)C#N
• InChI: InChI=1S/C8H6BrNO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,1H3
• InChI Key: QRUOZMVYROKPOO-UHFFFAOYSA-N
• Boiling Point: 289.1±20.0 °C
• Density: 1.56±0.1 g/ml

Custom Q&A

What is the molecular formula of 4-Bromo-2-methoxybenzonitrile?

The molecular formula of 4-Bromo-2-methoxybenzonitrile is C8H6BrNO.

What is the molecular weight of 4-Bromo-2-methoxybenzonitrile?

The molecular weight of 4-Bromo-2-methoxybenzonitrile is 212.04 g/mol.

What is the IUPAC name of 4-Bromo-2-methoxybenzonitrile?

The IUPAC name of 4-Bromo-2-methoxybenzonitrile is 4-bromo-2-methoxybenzonitrile.

What is the InChI of 4-Bromo-2-methoxybenzonitrile?

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

What is the InChIKey of 4-Bromo-2-methoxybenzonitrile?

The InChIKey of 4-Bromo-2-methoxybenzonitrile is QRUOZMVYROKPOO-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromo-2-methoxybenzonitrile?

The canonical SMILES of 4-Bromo-2-methoxybenzonitrile is COC1=C(C=CC(=C1)Br)C#N.

What is the CAS number of 4-Bromo-2-methoxybenzonitrile?

The CAS number of 4-Bromo-2-methoxybenzonitrile is 330793-38-9.

What is the XLogP3 value of 4-Bromo-2-methoxybenzonitrile?

The XLogP3 value of 4-Bromo-2-methoxybenzonitrile is 3.1.

How many hydrogen bond donor counts does 4-Bromo-2-methoxybenzonitrile have?

4-Bromo-2-methoxybenzonitrile has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 4-Bromo-2-methoxybenzonitrile have?

4-Bromo-2-methoxybenzonitrile has 2 hydrogen bond acceptor counts.