4,5,7-trifluoro-3H-benzoimidazole

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Basic information

CAS: 2686-72-8
Standard SMILES: Fc1cc(F)c2nc[nH]c2c1F
InChIKey: LKGYJXCGRGDDIA-UHFFFAOYSA-N
Molecular formula: C7H3F3N2
Average molar mass: 172.11 g/mol
Monoisotopic mass: 172.02483259

Names & identifiers

Preferred name: 4,5,7-trifluoro-3H-benzoimidazole
IUPAC: 4,6,7-trifluoro-1H-benzimidazole
English name: 1H-Benzimidazole,4,5,7-trifluoro-(9CI)
Molecular formula: C7H3F3N2
Molecular weight: 172.11

Names & synonyms

4,5,7-trifluoro-3H-benzoimidazole2686-72-84,6,7-trifluoro-1h-benzimidazoleNSC36917DTXSID40284362Benzimidazole, 4,5,7-trifluoro-NSC-369174,6,7-Trifluoro-1H-1,3-benzimidazole1H-Benzimidazole, 4,6,7-trifluoro-1H-Benzimidazole,4,5,7-trifluoro-(9CI)

Database identifiers

CAS: 2686-72-8
PubChem CID: 235495
DTXSID: DTXSID40284362

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 178

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Compound notes

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