2H-1,4-Benzoxazin-3(4H)-one, 4-(2-oxo-2-phenylethyl)-
Basic information
- CAS
105492-43-1- Standard SMILES
O=C(CN1C(=O)COc2ccccc21)c1ccccc1- InChIKey
KRVPFBZHTHRFCO-UHFFFAOYSA-N- Molecular formula
- C16H13NO3
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.08954328
Names & identifiers
- Preferred name
- 2H-1,4-Benzoxazin-3(4H)-one, 4-(2-oxo-2-phenylethyl)-
- IUPAC
- 4-phenacyl-1,4-benzoxazin-3-one
Names & synonyms
2H-1,4-Benzoxazin-3(4H)-one, 4-(2-oxo-2-phenylethyl)-105492-43-1DTXSID40341085RefChem:267945DTXCID602921664-(2-Oxo-2-phenylethyl)-2H-1,4-benzoxazin-3(4H)-oneKRVPFBZHTHRFCO-UHFFFAOYSA-NAKOS0006745204-(Benzoylmethyl)-2H-1,4-benzoxazin-3-oneAK-198/11159014SR-01000319339SR-01000319339-1
Database identifiers
- CAS
105492-43-1- PubChem CID
- 569894
- DTXSID
DTXSID40341085
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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