3-(4-Methylphenyl)-1,3-benzoxazine-2,4-dione
Basic information
- CAS
7133-79-1- Standard SMILES
Cc1ccc(-n2c(=O)oc3ccccc3c2=O)cc1- InChIKey
SORYQVTVJSQUPM-UHFFFAOYSA-N- Molecular formula
- C15H11NO3
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.07389321
Names & identifiers
- Preferred name
- 3-(4-Methylphenyl)-1,3-benzoxazine-2,4-dione
- IUPAC
- 3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione
Names & synonyms
3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione7133-79-1DTXSID50332747RefChem:274794DTXCID902838403-(4-Methylphenyl)-2H-1,3-benzoxazine-2,4(3H)-dioneSCHEMBL31042033-(p-tolyl)-1,3-benzoxazine-2,4-dione
Database identifiers
- CAS
7133-79-1- PubChem CID
- 463044
- DTXSID
DTXSID50332747- Nikkaji
- J1.247.497K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 374
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Compound notes
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