Basic information
- CAS
752943-34-3- Standard SMILES
Oc1ccc(Cc2ncc[nH]2)c(F)c1O- InChIKey
PVNPXALUYYRBMJ-UHFFFAOYSA-N- Molecular formula
- C10H9FN2O2
- Average molar mass
- 208.19 g/mol
Names & identifiers
- Preferred name
- 4-((1H-Imidazol-2-yl)methyl)-3-fluorobenzene-1,2-diol
- IUPAC
- 3-fluoro-4-(1H-imidazol-2-ylmethyl)benzene-1,2-diol
- English name
- 1,2-Benzenediol,3-fluoro-4-(1H-imidazol-2-ylmethyl)-(9CI)
- Molecular formula
- C10H9FN2O2
- Molecular weight
- 208.19
Names & synonyms
752943-34-34-((1H-Imidazol-2-yl)methyl)-3-fluorobenzene-1,2-diol1,2-benzenediol,3-fluoro-4-(1h-imidazol-2-ylmethyl)-1,2-Benzenediol, 3-fluoro-4-(1H-imidazol-2-ylmethyl)-1,2-Benzenediol,3-fluoro-4-(1H-imidazol-2-ylmethyl)-(9CI)
Database identifiers
- CAS
752943-34-3
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 527.4 · 527.4±50.0 °C(Predicted)
- Density
- 1.471 · 1.471±0.06 g/cm3(Predicted)
- pka
- 8.35 · 8.35±0.15(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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