Basic information
- CAS
89427-03-2- Standard SMILES
Cc1c(Cl)ccc2[nH]c(C(F)(F)F)nc12- InChIKey
KLYLINZLAQURKX-UHFFFAOYSA-N- Molecular formula
- C9H6ClF3N2
- Average molar mass
- 234.6 g/mol
- Monoisotopic mass
- 234.0171604
Names & identifiers
- Preferred name
- Benzimidazole, 5-chloro-4-methyl-2-(trifluoromethyl)-
- IUPAC
- 5-chloro-4-methyl-2-(trifluoromethyl)-1H-benzimidazole
Names & synonyms
BENZIMIDAZOLE, 5-CHLORO-4-METHYL-2-(TRIFLUOROMETHYL)-5-Chloro-4-methyl-2-(trifluoromethyl)benzimidazole89427-03-2DTXSID30237665RefChem:325939DTXCID801601565-chloro-4-methyl-2-(trifluoromethyl)-1H-benzo[d]imidazole5-Chloro-4-methyl-2-(trifluoromethyl)-1H-1,3-benzimidazole
Database identifiers
- CAS
89427-03-2- PubChem CID
- 55945
- DTXSID
DTXSID30237665
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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