2-Bromo-1-(4-(4-methyl-1H-imidazol-1-yl)phenyl)ethanone

• CAS: 810662-38-5
• Catalog Number: ACM810662385
• Category: Bromine Series
• Molecular Weight: 279.13254
• Molecular Formula: C₁₂H₁₁BrN₂O
• Synonyms: 2-bromo-1-(4-(4-methyl-1Himidazol-1-yl)phenyl)ethanone
• IUPAC Name: 2-bromo-1-[4-(4-methylimidazol-1-yl)phenyl]ethanone
• Canonical SMILES: CC1=CN(C=N1)C2=CC=C(C=C2)C(=O)CBr
• InChI Key: LKQQZQZAQABIRT-UHFFFAOYSA-N
• Boiling Point: 417.9ºC at 760 mmHg
• Flash Point: 206.6ºC
• Density: 1.44 g/cm³
• Exact Mass: 278.00500
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of the compound with PubChem CID 25067305?

The molecular formula is C12H11BrN2O.

What is the molecular weight of the compound?

The molecular weight is 279.13 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2-bromo-1-[4-(4-methylimidazol-1-yl)phenyl]ethanone.

What is the Canonical SMILES representation of the compound?

The Canonical SMILES representation is CC1=CN(C=N1)C2=CC=C(C=C2)C(=O)CBr.

What is the InChIKey of the compound?

The InChIKey is LKQQZQZAQABIRT-UHFFFAOYSA-N.

How many hydrogen bond acceptors does the compound have?

The compound has 2 hydrogen bond acceptors.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.

What is the exact mass of the compound?

The exact mass is 278.00548 g/mol.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the topological polar surface area of the compound?

The topological polar surface area is 34.9 Ų.