1-(1-Benzofuran-2-yl)-2-bromoethan-1-one

• CAS: 23489-36-3
• Catalog Number: ACM23489363
• Category: Bromine Series
• Molecular Weight: 239.0654
• Molecular Formula: C₁₀H₇BrO₂
• Synonyms: ZINC00158630, CID2735451, ST5214207, 23489-36-3
• IUPAC Name: 1-(1-benzofuran-2-yl)-2-bromoethanone
• Canonical SMILES: C1=CC=C2C(=C1)C=C(O2)C(=O)CBr
• InChI Key: NVRNCBWTEDOAQA-UHFFFAOYSA-N
• Boiling Point: 306.8ºC at 760 mmHg
• Melting Point: 89ºC
• Flash Point: 139.3ºC
• Density: 1.582 g/cm³
• Appearance: white to light yellow crystal powder
• Exact Mass: 237.96300
• Hazard Statements: C: Corrosive
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Safety Description: 26-36/37/39-45

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C10H7BrO2.

What is the molecular weight of the compound?

The molecular weight is 239.06 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 1-(1-benzofuran-2-yl)-2-bromoethanone.

What is the InChI of the compound?

The InChI is InChI=1S/C10H7BrO2/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-5H,6H2.

What is the InChIKey of the compound?

The InChIKey is NVRNCBWTEDOAQA-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is C1=CC=C2C(=C1)C=C(O2)C(=O)CBr.

What is the CAS number of the compound?

The CAS number is 23489-36-3.

What is the European Community (EC) Number of the compound?

The European Community (EC) Number is 686-923-5.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count is 0.

Is the compound canonicalized?

Yes, the compound is canonicalized.