Basic information
- CAS
89427-10-1- Standard SMILES
Cc1ccc2[nH]c(C(F)(F)F)nc2c1[N+](=O)[O-]- InChIKey
FXEJGTRANQTCMH-UHFFFAOYSA-N- Molecular formula
- C9H6F3N3O2
- Average molar mass
- 245.16 g/mol
- Monoisotopic mass
- 245.04121093
Names & identifiers
- Preferred name
- Benzimidazole, 5-methyl-4-nitro-2-(trifluoromethyl)-
- IUPAC
- 5-methyl-4-nitro-2-(trifluoromethyl)-1H-benzimidazole
Names & synonyms
Benzimidazole, 5-methyl-4-nitro-2-(trifluoromethyl)-5-Methyl-4-nitro-2-(trifluoromethyl)benzimidazole89427-10-1DTXSID00237672RefChem:325955DTXCID501601635-Methyl-4-nitro-2-(trifluoromethyl)-1H-1,3-benzimidazole
Database identifiers
- CAS
89427-10-1- PubChem CID
- 198637
- DTXSID
DTXSID00237672
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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