Basic information
- CAS
89427-08-7- Standard SMILES
N#Cc1cc(Cl)cc2[nH]c(C(F)(F)F)nc12- InChIKey
DUUONMUYQRZUOH-UHFFFAOYSA-N- Molecular formula
- C9H3ClF3N3
- Average molar mass
- 245.59 g/mol
- Monoisotopic mass
- 244.9967593
Names & identifiers
- Preferred name
- Benzimidazole-4-carbonitrile, 6-chloro-2-(trifluoromethyl)-
- IUPAC
- 6-chloro-2-(trifluoromethyl)-1H-benzimidazole-4-carbonitrile
Names & synonyms
89427-08-7BENZIMIDAZOLE-4-CARBONITRILE, 6-CHLORO-2-(TRIFLUOROMETHYL)-6-Chloro-2-(trifluoromethyl)benzimidazole-4-carbonitrileDTXSID80237670RefChem:325994DTXCID301601616-Chloro-2-(trifluoromethyl)-1H-1,3-benzimidazole-4-carbonitrile
Database identifiers
- CAS
89427-08-7- PubChem CID
- 55948
- DTXSID
DTXSID80237670
Properties
Computed structural properties
- XLogP
- 2.8
- 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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