Basic information
- CAS
89427-12-3- Standard SMILES
Oc1ccc(O)c2[nH]c(C(F)(F)F)nc12- InChIKey
DCFYIZVYJUHHPR-UHFFFAOYSA-N- Molecular formula
- C8H5F3N2O2
- Average molar mass
- 218.13 g/mol
- Monoisotopic mass
- 218.03031189
Names & identifiers
- Preferred name
- Benzimidazole-4,7-diol, 2-(trifluoromethyl)-
- IUPAC
- 2-(trifluoromethyl)-1H-benzimidazole-4,7-diol
Names & synonyms
2-(Trifluoromethyl)benzimidazole-4,7-diolBENZIMIDAZOLE-4,7-DIOL, 2-(TRIFLUOROMETHYL)-89427-12-3DTXSID20237674RefChem:325993DTXCID701601652-(Trifluoromethyl)-1H-1,3-benzimidazole-4,7-diol
Database identifiers
- CAS
89427-12-3- PubChem CID
- 55951
- DTXSID
DTXSID20237674
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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