4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-chlorobenzoyl)-2-(4-methylphenyl)-
Basic information
- CAS
114439-74-6- Standard SMILES
Cc1ccc(C2Oc3ccccc3C(=O)N2C(=O)c2ccc(Cl)cc2)cc1- InChIKey
QQYFOQQTSYRHOA-UHFFFAOYSA-N- Molecular formula
- C22H16ClNO3
- Average molar mass
- 377.8 g/mol
- Monoisotopic mass
- 377.0818711
Names & identifiers
- Preferred name
- 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-chlorobenzoyl)-2-(4-methylphenyl)-
- IUPAC
- 3-(4-chlorobenzoyl)-2-(4-methylphenyl)-2H-1,3-benzoxazin-4-one
Names & synonyms
114439-74-64H-1,3-Benzoxazin-4-one, 2,3-dihydro-3-(4-chlorobenzoyl)-2-(4-methylphenyl)-RefChem:10717872-(4-Tolyl)-3-(4-chlorobenzoyl)-4-oxo-4H-2,3-dihydro-1,3-benzoxazine2,3-Dihydro-3-(4-chlorobenzoyl)-2-(4-methylphenyl)-4H-1,3-benzoxazin-4-oneDTXSID509213773-(4-Chlorobenzoyl)-2-(4-methylphenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
Database identifiers
- CAS
114439-74-6- PubChem CID
- 3087409
- DTXSID
DTXSID50921377
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 552
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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