Basic information
- CAS
851128-57-9- Standard SMILES
O=Nc1cc(F)c(O)cc1O- InChIKey
KGLNETXOOGKTLO-UHFFFAOYSA-N- Molecular formula
- C6H4FNO3
- Average molar mass
- 157.1 g/mol
Names & identifiers
- Preferred name
- 6-Nitroso-4-fluororesorcinol
- IUPAC
- 4-fluoro-6-nitrosobenzene-1,3-diol
- English name
- 1,3-Benzenediol, 4-fluoro-6-nitroso-
- Molecular formula
- C6H4FNO3
- Molecular weight
- 157.1
Names & synonyms
6-Nitroso-4-fluororesorcinolSCHEMBL1001806851128-57-91,3-Benzenediol, 4-fluoro-6-nitroso-
Database identifiers
- CAS
851128-57-9
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 315.4 · 315.4±27.0 °C(Predicted)
- Density
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- pka
- 5.08 · 5.08±0.23(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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