Basic information
- CAS
89427-09-8- Standard SMILES
FC(F)(F)c1nc2c(C(F)(F)F)cc(Cl)cc2[nH]1- InChIKey
JUWDRLQORVCZOE-UHFFFAOYSA-N- Molecular formula
- C9H3ClF6N2
- Average molar mass
- 288.57 g/mol
- Monoisotopic mass
- 287.9888948
Names & identifiers
- Preferred name
- Benzimidazole, 2,4-bis(trifluoromethyl)-6-chloro-
- IUPAC
- 6-chloro-2,4-bis(trifluoromethyl)-1H-benzimidazole
Names & synonyms
89427-09-82,4-Bis(trifluoromethyl)-6-chlorobenzimidazoleBENZIMIDAZOLE, 2,4-BIS(TRIFLUOROMETHYL)-6-CHLORO-DTXSID40237671RefChem:325833DTXCID901601626-Chloro-2,4-bis(trifluoromethyl)-1H-1,3-benzimidazole
Database identifiers
- CAS
89427-09-8- PubChem CID
- 55949
- DTXSID
DTXSID40237671
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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