5-Bromo-1H-benzimidazole-2-carboxylic acid ethyl ester

• CAS: 144167-50-0
• Catalog Number: ACM144167500
• Category: Bromine Series

Custom Q&A

What is the molecular formula of 5-Bromo-1H-benzimidazole-2-carboxylic acid ethyl ester?

The molecular formula is C10H9BrN2O2.

What is the molecular weight of 5-Bromo-1H-benzimidazole-2-carboxylic acid ethyl ester?

The molecular weight is 269.09 g/mol.

What is the IUPAC name of this compound?

The IUPAC name is ethyl 6-bromo-1H-benzimidazole-2-carboxylate.

What is the InChI code of 5-Bromo-1H-benzimidazole-2-carboxylic acid ethyl ester?

The InChI code is InChI=1S/C10H9BrN2O2/c1-2-15-10(14)9-12-7-4-3-6(11)5-8(7)13-9/h3-5H,2H2,1H3,(H,12,13).

What is the InChIKey of this compound?

The InChIKey is RATPYWQBBAFDQN-UHFFFAOYSA-N.

What is the Canonical SMILES of 5-Bromo-1H-benzimidazole-2-carboxylic acid ethyl ester?

The Canonical SMILES is CCOC(=O)C1=NC2=C(N1)C=C(C=C2)Br.

What is the CAS number of this compound?

The CAS number is 144167-50-0.

How many hydrogen bond donor counts are there in this compound?

There is 1 hydrogen bond donor count.

What is the topological polar surface area of 5-Bromo-1H-benzimidazole-2-carboxylic acid ethyl ester?

The topological polar surface area is 55Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.