1-(6-Amino-2-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone
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Basic information
- CAS
277301-94-7- Standard SMILES
Nc1ccc(F)c(Cl)c1C(=O)C(F)(F)F- InChIKey
UZLOXMAWBGNXOG-UHFFFAOYSA-N- Molecular formula
- C8H4ClF4NO
- Average molar mass
- 241.57 g/mol
Names & identifiers
- Preferred name
- 1-(6-Amino-2-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone
- IUPAC
- 1-(6-amino-2-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone
- English name
- 1-(6-Amino-2-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone
- Molecular formula
- C8H4ClF4NO
- Molecular weight
- 241.57
Names & synonyms
277301-94-71-(6-amino-2-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone1-(6-amino-2-chloro-3-fluoro-phenyl)-2,2,2-trifluoro-ethanone1-(6-amino-2-chloro-3-fluorophenyl)-2,2,2-trifluoroethan-1-oneSB81264DB-258859Ethanone, 1-(6-amino-2-chloro-3-fluorophenyl)-2,2,2-trifluoro-
Database identifiers
- CAS
277301-94-7
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Boiling point
- 258.8 · 258.8±35.0 °C(Predicted)
- Density
- 1.55 · 1.550±0.06 g/cm3(Predicted)
- pka
- -1.16 · -1.16±0.13(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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