3-Bromo-4-hydroxy-5-methoxybenzonitrile

• CAS: 52805-45-5
• Catalog Number: ACM52805455
• Category: Phenols
• Molecular Weight: 228.04
• Molecular Formula: C₁₅H₁₆FNO
• Synonyms: MolPort-000-160-560, STK348814, ZINC02573235, ALBB-008944, 3-bromo-4-hydroxy-5-methoxybenzonitrile, CID7021625, 52805-45-5
• IUPAC Name: 3-bromo-4-hydroxy-5-methoxybenzonitrile
• Canonical SMILES: COC1=C(C(=CC(=C1)C#N)Br)O
• InChI Key: FHXLXRNDUJYBEQ-UHFFFAOYSA-N
• Boiling Point: 280.7ºC at 760 mmHg
• Melting Point: 143-146ºC
• Flash Point: 123.6ºC
• Density: 1.71g/cm³
• Exact Mass: 226.95800
• Hazard Statements: H314
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Packing Group: III
• RIDADR: NONH for all modes of transport
• Safety Description: 26-36
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 3-Bromo-4-hydroxy-5-methoxybenzonitrile?

The molecular formula is C8H6BrNO2.

What is the molecular weight of 3-Bromo-4-hydroxy-5-methoxybenzonitrile?

The molecular weight is 228.04 g/mol.

What is the IUPAC name of 3-Bromo-4-hydroxy-5-methoxybenzonitrile?

The IUPAC name is 3-bromo-4-hydroxy-5-methoxybenzonitrile.

What is the InChI code of 3-Bromo-4-hydroxy-5-methoxybenzonitrile?

The InChI code is InChI=1S/C8H6BrNO2/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-3,11H,1H3.

What is the InChIKey of 3-Bromo-4-hydroxy-5-methoxybenzonitrile?

The InChIKey is FHXLXRNDUJYBEQ-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Bromo-4-hydroxy-5-methoxybenzonitrile?

The canonical SMILES is COC1=C(C(=CC(=C1)C#N)Br)O.

What is the CAS number of 3-Bromo-4-hydroxy-5-methoxybenzonitrile?

The CAS number is 52805-45-5.

How many hydrogen bond donor counts are there in 3-Bromo-4-hydroxy-5-methoxybenzonitrile?

There is 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts are there in 3-Bromo-4-hydroxy-5-methoxybenzonitrile?

There are 3 hydrogen bond acceptor counts.