Benzimidazole, 4-chloro-6-nitro-2-(trifluoromethyl)-
Basic information
- CAS
4228-91-5- Standard SMILES
O=[N+]([O-])c1cc(Cl)c2nc(C(F)(F)F)[nH]c2c1- InChIKey
HNDQGIJHWSTKDW-UHFFFAOYSA-N- Molecular formula
- C8H3ClF3N3O2
- Average molar mass
- 265.57 g/mol
- Monoisotopic mass
- 264.9865885
Names & identifiers
- Preferred name
- Benzimidazole, 4-chloro-6-nitro-2-(trifluoromethyl)-
- IUPAC
- 4-chloro-6-nitro-2-(trifluoromethyl)-1H-benzimidazole
Names & synonyms
BENZIMIDAZOLE, 4-CHLORO-6-NITRO-2-(TRIFLUOROMETHYL)-BRN 09622244228-91-54-Chloro-6-nitro-2-(trifluoromethyl)benzimidazoleDTXSID60195108RefChem:325913DTXCID30117599SCHEMBL8855468SCHEMBL8855476HNDQGIJHWSTKDW-UHFFFAOYSA-N4-Chloro-6-nitro-2-(trifluoromethyl)-1H-1,3-benzimidazole
Database identifiers
- CAS
4228-91-5- PubChem CID
- 20213
- DTXSID
DTXSID60195108
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 322
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Compound notes
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