Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)-
Basic information
- CAS
89427-07-6- Standard SMILES
N#Cc1cc(Cl)c2nc(C(F)(F)F)[nH]c2c1- InChIKey
IRFXRRYWNCENBO-UHFFFAOYSA-N- Molecular formula
- C9H3ClF3N3
- Average molar mass
- 245.59 g/mol
- Monoisotopic mass
- 244.9967593
Names & identifiers
- Preferred name
- Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)-
- IUPAC
- 7-chloro-2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile
Names & synonyms
Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)-4-Chloro-2-(trifluoromethyl)benzimidazole-6-carbonitrile89427-07-61H-Benzimidazole-5-carbonitrile, 7-chloro-2-(trifluoromethyl)-DTXSID70237669RefChem:325998DTXCID701601604-Chloro-2-(trifluoromethyl)-1H-1,3-benzimidazole-6-carbonitrile
Database identifiers
- CAS
89427-07-6- PubChem CID
- 198636
- DTXSID
DTXSID70237669
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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