Basic information
- CAS
35141-49-2- Standard SMILES
O=C1NC(c2ccc(Cl)cc2)Oc2ccccc21- InChIKey
FSKJCHUOYBRXMU-UHFFFAOYSA-N- Molecular formula
- C14H10ClNO2
- Average molar mass
- 259.69 g/mol
- Monoisotopic mass
- 259.0400063
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-2H-benzo[e][1,3]oxazin-4(3H)-one
- IUPAC
- 2-(4-chlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
Names & synonyms
35141-49-22-(4-Chlorophenyl)-2H-benzo[e][1,3]oxazin-4(3H)-one2-(4-chlorophenyl)-2,3-dihydro-1,3-benzoxazin-4-one2-(4-Chloro-phenyl)-2,3-dihydro-benzo[e][1,3]oxazin-4-one2-(4-Chlorophenyl)-2,3-dihydro-4H-benzo[e][1,3]oxazin-4-one2-(4-Chloro-phenyl)-2,3-dihydro-benzo[e][1,3]-oxazin-4-one2-(4-chlorophenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-oneOprea1_298506Oprea1_588896MLS001210012CHEMBL1533314DTXSID301324076
Show more names
HMS2824P18AKOS000613271AKOS022011433SMR000514052CS-0364625ST50229573AB00084204-012-(4-chlorophenyl)-2H,3H-benzo[e]1,3-oxazin-4-one
Database identifiers
- CAS
35141-49-2- PubChem CID
- 2844985
- DTXSID
DTXSID301324076- ChEMBL
CHEMBL1533314- Nikkaji
- J2.471.264H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Experimental & physicochemical properties
Solubility1.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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