2,3-Dihydro-8-fluoro-1,4-benzoxazepin-5(4H)-one
Basic information
- CAS
844648-10-8- Standard SMILES
O=C1NCCOc2cc(F)ccc21- InChIKey
UTQCOPZWZFHBAJ-UHFFFAOYSA-N- Molecular formula
- C9H8FNO2
- Average molar mass
- 181.16 g/mol
- Monoisotopic mass
- 181.05390666
Names & identifiers
- Preferred name
- 2,3-Dihydro-8-fluoro-1,4-benzoxazepin-5(4H)-one
- IUPAC
- 8-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one
- English name
- 8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one
- Molecular formula
- C9H8FNO2
- Molecular weight
- 181.16
Names & synonyms
844648-10-88-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one2,3-Dihydro-8-fluoro-1,4-benzoxazepin-5(4H)-one8-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one8-Fluoro-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-oneSCHEMBL1887176UIB64810EN300-1907678-Fluoro-3,4-dihydro-1,4-benzoxazepin-5(2H)-one1,4-Benzoxazepin-5(2H)-one, 8-fluoro-3,4-dihydro-
Database identifiers
- CAS
844648-10-8- PubChem CID
- 67200738
- EC Number
- 189-030-4
- Nikkaji
- J590.626A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Boiling point
- 415.9 · 415.9±45.0 °C(Predicted)
- Density
- 1.277 · 1.277±0.06 g/cm3(Predicted)
- pka
- 13.35 · 13.35±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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