7-Chloro-2-p-tolyl-benzo[d][1,3]oxazin-4-one
Basic information
- CAS
40728-69-6- Standard SMILES
Cc1ccc(-c2nc3cc(Cl)ccc3c(=O)o2)cc1- InChIKey
RRJLRMAQHMFYPK-UHFFFAOYSA-N- Molecular formula
- C15H10ClNO2
- Average molar mass
- 271.7 g/mol
- Monoisotopic mass
- 271.0400063
Names & identifiers
- Preferred name
- 7-Chloro-2-p-tolyl-benzo[d][1,3]oxazin-4-one
- IUPAC
- 7-chloro-2-(4-methylphenyl)-3,1-benzoxazin-4-one
- English name
- 7-chloro-2-(4-methylphenyl)-4H-3,1-benzoxazin-4-one
- Molecular formula
- C15H10ClNO2
- Molecular weight
- 271.7
Names & synonyms
7-Chloro-2-p-tolyl-benzo[d][1,3]oxazin-4-one40728-69-67-chloro-2-(4-methylphenyl)-4H-3,1-benzoxazin-4-one7-Chloro-2-(p-tolyl)-4H-benzo[d][1,3]oxazin-4-one7-chloro-2-(4-methylphenyl)-3,1-benzoxazin-4-oneNSC159061DTXSID80303561STK224241AKOS000642633CCG-324180NSC-159061ST50280559
Show more names
4H-3,1-Benzoxazin-4-one, 7-chloro-2-(4-methylphenyl)-
7-chloro-2-(4-methylphenyl)benzo[d]1,3-oxazin-4-one
Database identifiers
- CAS
40728-69-6- PubChem CID
- 292871
- DTXSID
DTXSID80303561- Nikkaji
- J1.272.980D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Boiling point
- 399.9 · 399.9±31.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 0.2 · 0.20±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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