2-(1H-benzo[d]imidazol-2-yl)-4-bromophenol

• CAS: 62871-28-7
• Catalog Number: ACM62871287
• Category: Bromine Series
• Molecular Formula: C₁₃H₉BrN₂O
• Synonyms: 2-(1H-Benzimidazol-2-yl)-4-bromophenol;2-(1H-1,3-Benzodiazol-2-yl)-4-bromophenol
• Density: 1.652

Custom Q&A

What is the molecular formula of the compound with PubChem CID 4450897?

The molecular formula is C13H9BrN2O.

What is the molecular weight of the compound?

The molecular weight is 289.13 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2-(1H-benzimidazol-2-yl)-4-bromophenol.

What is the InChI of the compound?

The InChI is InChI=1S/C13H9BrN2O/c14-8-5-6-12(17)9(7-8)13-15-10-3-1-2-4-11(10)16-13/h1-7,17H,(H,15,16).

What is the InChIKey of the compound?

The InChIKey is DHGHFCLCUPPGKW-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is C1=CC=C2C(=C1)NC(=N2)C3=C(C=CC(=C3)Br)O.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 48.9 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the complexity of the compound?

The complexity of the compound is 276.