4,6,7-Trichloro-2-(trifluoromethyl)-1H-benzimidazole

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Basic information

CAS: 3393-59-7
Standard SMILES: FC(F)(F)c1nc2c(Cl)cc(Cl)c(Cl)c2[nH]1
InChIKey: ZVFDYQZOXSAMSR-UHFFFAOYSA-N
Molecular formula: C8H2Cl3F3N2
Average molar mass: 289.5 g/mol
Monoisotopic mass: 287.923566

Names & identifiers

Preferred name: 4,6,7-Trichloro-2-(trifluoromethyl)-1H-benzimidazole
IUPAC: 4,6,7-trichloro-2-(trifluoromethyl)-1H-benzimidazole
English name: 4,6,7-Trichloro-2-(trifluoromethyl)-1H-benzimidazole
Molecular weight: 0

Names & synonyms

3393-59-7Benzimidazole, 4,5,7-trichloro-2-(trifluoromethyl)-4,6,7-trichloro-2-(trifluoromethyl)-1h-benzimidazoleDTXSID50187552RefChem:1069469DTXCID10110043Benzimidazole, 4,6,7-trichloro-2-(trifluoromethyl)-4,5,7-Trichloro-2-(trifluoromethyl)benzimidazoleNIOSH/DE1575000ZVFDYQZOXSAMSR-UHFFFAOYSA-NDE157500004,6,7-Trichloro-2-(trifluoromethyl)benzimidazole

Show more names

4,6,7-Trichloro-2-(trifluoromethyl)-1H-1,3-benzimidazole

Database identifiers

CAS: 3393-59-7
PubChem CID: 76927
DTXSID: DTXSID50187552
Nikkaji: J41.297J

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 276

Experimental & physicochemical properties

LogP3.78

Related reactions

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Compound notes

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