Basic information
- CAS
65441-03-4- Standard SMILES
COc1ccc(-c2noc(=O)c3ccccc23)cc1- InChIKey
WWULRTBTOURGHJ-UHFFFAOYSA-N- Molecular formula
- C15H11NO3
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.07389321
Names & identifiers
- Preferred name
- 4-(4-Methoxyphenyl)-1H-2,3-benzoxazin-1-one
- IUPAC
- 4-(4-methoxyphenyl)-2,3-benzoxazin-1-one
- English name
- 4-(4-Methoxyphenyl)-1H-2,3-benzoxazin-1-one
- Molecular formula
- C15H11NO3
- Molecular weight
- 253.25
Names & synonyms
65441-03-44-(4-Methoxyphenyl)-1H-2,3-benzoxazin-1-oneNSC 303584UNII-52472Q412H52472Q412HNSC-303584DTXSID502157681H-2,3-Benzoxazin-1-one, 4-(4-methoxyphenyl)-1H-2,3-BENZOXAZIN-1-ONE, 4-(P-METHOXYPHENYL)-RefChem:97253DTXCID80138259NSC303584
Show more names
4-(4-methoxyphenyl)-2,3-benzoxazin-1-one1H-2,3-Benzoxazin-1-one,4-(4-methoxyphenyl)-DS-008616
Database identifiers
- CAS
65441-03-4- PubChem CID
- 327657
- DTXSID
DTXSID50215768- UNII
- 52472Q412H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Melting point
- 141 °C · 141 °C
- Boiling point
- 414.1 · 414.1±47.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- FDA UNII
- 52472 Q412H · 52472Q412H
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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