Benzimidazole, 5-chloro-4-nitro-2-(trifluoromethyl)-
Basic information
- CAS
6609-39-8- Standard SMILES
O=[N+]([O-])c1c(Cl)ccc2[nH]c(C(F)(F)F)nc12- InChIKey
RGHCRDDIYJEAFI-UHFFFAOYSA-N- Molecular formula
- C8H3ClF3N3O2
- Average molar mass
- 265.57 g/mol
- Monoisotopic mass
- 264.9865885
Names & identifiers
- Preferred name
- Benzimidazole, 5-chloro-4-nitro-2-(trifluoromethyl)-
- IUPAC
- 5-chloro-4-nitro-2-(trifluoromethyl)-1H-benzimidazole
Names & synonyms
6609-39-8BENZIMIDAZOLE, 5-CHLORO-4-NITRO-2-(TRIFLUOROMETHYL)-5-Chloro-4-nitro-2-(trifluoromethyl)-1H-benzimidazole5-Chloro-4-nitro-2-(trifluoromethyl)benzimidazoleDTXSID802162831H-Benzimidazole, 5-chloro-4-nitro-2-(trifluoromethyl)-RefChem:325940DTXCID801387745-Chloro-4-nitro-2-(trifluoromethyl)-1H-benzo[d]imidazoleSCHEMBL8855510SCHEMBL8855514RGHCRDDIYJEAFI-UHFFFAOYSA-N
Show more names
5-Chloro-4-nitro-2-(trifluoromethyl)-1H-1,3-benzimidazole
Database identifiers
- CAS
6609-39-8- PubChem CID
- 40921
- DTXSID
DTXSID80216283
Properties
Computed structural properties
- XLogP
- 2.9
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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