3-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate
Basic information
- CAS
52042-40-7- Standard SMILES
CC(=O)OCC(CN1C(=O)COc2ccc(Cl)cc21)OC(C)=O- InChIKey
JTDDXNYPLZYMHB-UHFFFAOYSA-N- Molecular formula
- C15H16ClNO6
- Average molar mass
- 341.74 g/mol
- Monoisotopic mass
- 341.0666149
Names & identifiers
- Preferred name
- 3-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetate
- IUPAC
- [2-acetyloxy-3-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)propyl] acetate
Names & synonyms
52042-40-7DTXSID209664123-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propane-1,2-diyl diacetateRefChem:1066945DTXCID7013940494-(2,3-Bis(acetyloxy)propyl)-6-chloro-2H-1,4-benzoxazin-3(4H)-one2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-bis(acetyloxy)propyl)-6-chloro-3-Oxo-4-(2,3-diacetoxypropyl)-6-chloro-2,3-dihydro-1,4-benzoxazineSCHEMBL11832176
Database identifiers
- CAS
52042-40-7- PubChem CID
- 3040337
- DTXSID
DTXSID20966412
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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