Benzimidazole, 5,6-dimethyl-4-nitro-2-(trifluoromethyl)-
Basic information
- CAS
89427-22-5- Standard SMILES
Cc1cc2[nH]c(C(F)(F)F)nc2c([N+](=O)[O-])c1C- InChIKey
HMWZHAXMGSDNNR-UHFFFAOYSA-N- Molecular formula
- C10H8F3N3O2
- Average molar mass
- 259.18 g/mol
- Monoisotopic mass
- 259.05686099
Names & identifiers
- Preferred name
- Benzimidazole, 5,6-dimethyl-4-nitro-2-(trifluoromethyl)-
- IUPAC
- 5,6-dimethyl-4-nitro-2-(trifluoromethyl)-1H-benzimidazole
Names & synonyms
BENZIMIDAZOLE, 5,6-DIMETHYL-4-NITRO-2-(TRIFLUOROMETHYL)-89427-22-55,6-Dimethyl-4-nitro-2-(trifluoromethyl)benzimidazoleDTXSID70237684RefChem:325928DTXCID20160175HMWZHAXMGSDNNR-UHFFFAOYSA-N5,6-Dimethyl-4-nitro-2-(trifluoromethyl)-1H-1,3-benzimidazole
Database identifiers
- CAS
89427-22-5- PubChem CID
- 55960
- DTXSID
DTXSID70237684
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 344
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Compound notes
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