Basic information
- CAS
89427-02-1- Standard SMILES
COc1c(Cl)ccc2[nH]c(C(F)(F)F)nc12- InChIKey
ITEGNHZULKQUEH-UHFFFAOYSA-N- Molecular formula
- C9H6ClF3N2O
- Average molar mass
- 250.6 g/mol
- Monoisotopic mass
- 250.012075
Names & identifiers
- Preferred name
- Benzimidazole, 5-chloro-4-methoxy-2-(trifluoromethyl)-
- IUPAC
- 5-chloro-4-methoxy-2-(trifluoromethyl)-1H-benzimidazole
Names & synonyms
89427-02-1BENZIMIDAZOLE, 5-CHLORO-4-METHOXY-2-(TRIFLUOROMETHYL)-5-Chloro-4-methoxy-2-(trifluoromethyl)benzimidazoleDTXSID70237664RefChem:325938DTXCID201601555-Chloro-4-methoxy-2-(trifluoromethyl)-1H-1,3-benzimidazole
Database identifiers
- CAS
89427-02-1- PubChem CID
- 55944
- DTXSID
DTXSID70237664
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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