3-Chloro-4-ethoxy-5-fluorophenol
Basic information
- CAS
1017778-82-3- Standard SMILES
CCOc1c(F)cc(O)cc1Cl- InChIKey
SBGFBMVWWJYFAI-UHFFFAOYSA-N- Molecular formula
- C8H8ClFO2
- Average molar mass
- 190.6 g/mol
- Monoisotopic mass
- 190.0196853
Names & identifiers
- Preferred name
- 3-Chloro-4-ethoxy-5-fluorophenol
- IUPAC
- 3-chloro-4-ethoxy-5-fluorophenol
- English name
- 3-Chloro-4-ethoxy-5-fluorophenol
- Molecular formula
- C8H8ClFO2
- Molecular weight
- 190.6
Names & synonyms
3-CHLORO-4-ETHOXY-5-FLUOROPHENOL1017778-82-3MFCD09832339DTXSID8013021923-chloro-4-ethoxy-5-fluoro-phenolSBB091195AKOS006283678JS-4743CS-0321538Phenol, 3-chloro-4-ethoxy-5-fluoro-
Database identifiers
- CAS
1017778-82-3- PubChem CID
- 20111913
- DTXSID
DTXSID801302192
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 285.6 · 285.6±35.0 °C(Predicted)
- Density
- 1.318 · 1.318±0.06 g/cm3(Predicted)
- pka
- 8.56 · 8.56±0.23(Predicted)
- HS Code
- 2907199090 · 2907199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2907199090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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