Benzimidazole, 4-nitro-2-(trifluoromethyl)-
Basic information
- CAS
14689-51-1- Standard SMILES
O=[N+]([O-])c1cccc2[nH]c(C(F)(F)F)nc12- InChIKey
XHHVZQKTSKYLQH-UHFFFAOYSA-N- Molecular formula
- C8H4F3N3O2
- Average molar mass
- 231.13 g/mol
- Monoisotopic mass
- 231.02556087
Names & identifiers
- Preferred name
- Benzimidazole, 4-nitro-2-(trifluoromethyl)-
- IUPAC
- 4-nitro-2-(trifluoromethyl)-1H-benzimidazole
Names & synonyms
14689-51-1Benzimidazole, 4-nitro-2-(trifluoromethyl)-BRN 09210234-Nitro-2-(trifluoromethyl)benzimidazoleDTXSID90163532RefChem:325916DTXCID30860234-Nitro-2-(trifluoromethyl)-1H-benzo[d]imidazole4-nitro-2-(trifluoromethyl)-1H-benzimidazole2-(Trifluoromethyl)-4-nitro-1H-benzimidazole7-Nitro-2-(trifluoromethyl)-1H-benzo[d]imidazoleMFCD00796063
Show more names
4-nitro-2-trifluoromethyl-1h-benzoimidazoleSCHEMBL5364806SCHEMBL68133564-nitro-2-trifluoromethylbenzimidazoleAKOS023171079CS-03340504-Nitro-2-(trifluoromethyl)-1H-1,3-benzimidazole
Database identifiers
- CAS
14689-51-1- PubChem CID
- 197930
- DTXSID
DTXSID90163532- EC Number
- 141-708-0
- Nikkaji
- J582.060J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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