4-(2-Methylphenyl)-2-(3-nitrophenyl)-1,3-oxazin-6-one
Basic information
- CAS
6596-48-1- Standard SMILES
Cc1ccccc1-c1cc(=O)oc(-c2cccc([N+](=O)[O-])c2)n1- InChIKey
XAWRZMYBQFHEMH-UHFFFAOYSA-N- Molecular formula
- C17H12N2O4
- Average molar mass
- 308.29 g/mol
- Monoisotopic mass
- 308.07970687
Names & identifiers
- Preferred name
- 4-(2-Methylphenyl)-2-(3-nitrophenyl)-1,3-oxazin-6-one
- IUPAC
- 4-(2-methylphenyl)-2-(3-nitrophenyl)-1,3-oxazin-6-one
Names & synonyms
4-(2-methylphenyl)-2-(3-nitrophenyl)-1,3-oxazin-6-oneDTXSID00387707RefChem:287334DTXCID503387296596-48-14-(2-methylphenyl)-2-(3-nitrophenyl)-6H-1,3-oxazin-6-oneMFCD02923011AKOS001640735G49660SR-01000483332SR-01000483332-1
Database identifiers
- CAS
6596-48-1- PubChem CID
- 2904571
- DTXSID
DTXSID00387707
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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