4,6-Dichloro-5,7-difluoro-2-(trifluoromethyl)-1H-benzimidazole
Basic information
- CAS
89427-27-0- Standard SMILES
Fc1c(Cl)c(F)c2nc(C(F)(F)F)[nH]c2c1Cl- InChIKey
JQGLVTOSBVIPTM-UHFFFAOYSA-N- Molecular formula
- C8HCl2F5N2
- Average molar mass
- 291 g/mol
- Monoisotopic mass
- 289.9436942
Names & identifiers
- Preferred name
- 4,6-Dichloro-5,7-difluoro-2-(trifluoromethyl)-1H-benzimidazole
- IUPAC
- 5,7-dichloro-4,6-difluoro-2-(trifluoromethyl)-1H-benzimidazole
Names & synonyms
89427-27-0DTXSID9010088104,6-Dichloro-5,7-difluoro-2-(trifluoromethyl)-1H-benzimidazoleRefChem:1069491DTXCID9014356415,7-Dichloro-4,6-difluoro-2-(trifluoromethyl)benzimidazole1H-Benzimidazole, 4,6-dichloro-5,7-difluoro-2-(trifluoromethyl)-Benzimidazole, 5,7-dichloro-4,6-difluoro-2-(trifluoromethyl)-
Database identifiers
- CAS
89427-27-0- PubChem CID
- 198641
- DTXSID
DTXSID901008810
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
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Compound notes
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