1H-Benzimidazole-5-carbonitrile,2-chloro-(9ci)

• CAS: 401567-00-8
• Catalog Number: ACM401567008
• Category: Other Products
• Molecular Weight: 177.594
• Molecular Formula: C₈H₄ClN₃
• Synonyms: 1H-Benzimidazole-5-carbonitrile,2-chloro-(9CI);2-chloro-1H-1,3-benzodiazole-5-carbonitrile;1H-BenziMidazole-6-carbonitrile,2-chloro-;2-Chloro-1H-benzimidazole-5-carbonitrile;2-Chloro-1H-benzimidazole-6-carbonitrile;2-chlorobenziMidazole-5-carbonitrile;2-Chloro-1H-benzo[d]iMidazole-5-carbonitrile

Custom Q&A

What is the molecular formula of 1H-Benzimidazole-5-carbonitrile,2-chloro-(9ci)?

The molecular formula is C8H4ClN3.

What is the molecular weight of 1H-Benzimidazole-5-carbonitrile,2-chloro-(9ci)?

The molecular weight is 177.59 g/mol.

What is the IUPAC name of 1H-Benzimidazole-5-carbonitrile,2-chloro-(9ci)?

The IUPAC name is 2-chloro-3H-benzimidazole-5-carbonitrile.

What is the InChI of 1H-Benzimidazole-5-carbonitrile,2-chloro-(9ci)?

The InChI is InChI=1S/C8H4ClN3/c9-8-11-6-2-1-5(4-10)3-7(6)12-8/h1-3H,(H,11,12).

What is the InChIKey of 1H-Benzimidazole-5-carbonitrile,2-chloro-(9ci)?

The InChIKey is WDWQXEUJKGYNPZ-UHFFFAOYSA-N.

What is the Canonical SMILES of 1H-Benzimidazole-5-carbonitrile,2-chloro-(9ci)?

The Canonical SMILES is C1=CC2=C(C=C1C#N)NC(=N2)Cl.

What is the XLogP3 value of 1H-Benzimidazole-5-carbonitrile,2-chloro-(9ci)?

The XLogP3 value is 2.4.

How many hydrogen bond donor counts are in 1H-Benzimidazole-5-carbonitrile,2-chloro-(9ci)?

There is 1 hydrogen bond donor count.

What is the topological polar surface area of 1H-Benzimidazole-5-carbonitrile,2-chloro-(9ci)?

The topological polar surface area is 52.5 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.