9-chloro-3-phenyl-2,3-dihydro-1H-chromeno[3,4-b][1,4]oxazin-5-one
Basic information
- CAS
5207-29-4- Standard SMILES
O=c1oc2ccc(Cl)cc2c2c1OC(c1ccccc1)CN2- InChIKey
GVJLHYLHJNSGCD-UHFFFAOYSA-N- Molecular formula
- C17H12ClNO3
- Average molar mass
- 313.7 g/mol
- Monoisotopic mass
- 313.0505709
Names & identifiers
- Preferred name
- 9-chloro-3-phenyl-2,3-dihydro-1H-chromeno[3,4-b][1,4]oxazin-5-one
- IUPAC
- 9-chloro-3-phenyl-2,3-dihydro-1H-chromeno[3,4-b][1,4]oxazin-5-one
Names & synonyms
5207-29-4NSC1717559-chloro-3-phenyl-2,3-dihydro-1H-chromeno[3,4-b][1,4]oxazin-5-oneDTXSID30305833NSC-171755[1]Benzopyrano[3,4]oxazin-5(1H)-one, 9-chloro-2,3-dihydro-3-phenyl-9-Chloro-3-phenyl-2,3-dihydro[1]benzopyrano[3,4-b][1,4]oxazin-5(1H)-one
Database identifiers
- CAS
5207-29-4- PubChem CID
- 299284
- DTXSID
DTXSID30305833
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 486
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Compound notes
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