2-(4-Ethoxyphenoxy)-5-fluoroaniline
Basic information
- CAS
937596-51-5- Standard SMILES
CCOc1ccc(Oc2ccc(F)cc2N)cc1- InChIKey
VFOKANOHSGRCMK-UHFFFAOYSA-N- Molecular formula
- C14H14FNO2
- Average molar mass
- 247.26 g/mol
Names & identifiers
- Preferred name
- 2-(4-Ethoxyphenoxy)-5-fluoroaniline
- IUPAC
- 2-(4-ethoxyphenoxy)-5-fluoroaniline
- English name
- 2-(4-Ethoxyphenoxy)-5-fluoroaniline
- Molecular formula
- C14H14FNO2
- Molecular weight
- 247.26
Names & synonyms
2-(4-ETHOXYPHENOXY)-5-FLUOROANILINE937596-51-5AKOS000221957SB80793AKOS B033469Benzenamine, 2-(4-ethoxyphenoxy)-5-fluoro-
Database identifiers
- CAS
937596-51-5
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Boiling point
- 346 · 346.0±42.0 °C(Predicted)
- Density
- 1.194 · 1.194±0.06 g/cm3(Predicted)
- pka
- 3.5 · 3.50±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Compound notes
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