3-Fluoro-4-(1-naphthylmethoxy)aniline
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Basic information
- CAS
946663-88-3- Standard SMILES
Nc1ccc(OCc2cccc3ccccc23)c(F)c1- InChIKey
FMKPLNMNUUDZRZ-UHFFFAOYSA-N- Molecular formula
- C17H14FNO
- Average molar mass
- 267.3 g/mol
- Monoisotopic mass
- 267.10594223
Names & identifiers
- Preferred name
- 3-Fluoro-4-(1-naphthylmethoxy)aniline
- IUPAC
- 3-fluoro-4-(naphthalen-1-ylmethoxy)aniline
- English name
- 3-FLUORO-4-(1-NAPHTHYLMETHOXY)ANILINE
- Molecular formula
- C17H14FNO
- Molecular weight
- 267.3
Names & synonyms
3-FLUORO-4-(1-NAPHTHYLMETHOXY)ANILINE3-fluoro-4-(naphthalen-1-ylmethoxy)aniline946663-88-3AKOS009403814Benzenamine, 3-fluoro-4-(1-naphthalenylmethoxy)-
Database identifiers
- CAS
946663-88-3- PubChem CID
- 26190143
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Boiling point
- 463.1 · 463.1±30.0 °C(Predicted)
- Density
- 1.244 · 1.244±0.06 g/cm3(Predicted)
- pka
- 4.04 · 4.04±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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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