Basic information
- CAS
20972-98-9- Standard SMILES
O=C1c2cc(Cl)ccc2OCN1c1ccc(Cl)cc1- InChIKey
GDYKAXSBYNFRSX-UHFFFAOYSA-N- Molecular formula
- C14H9Cl2NO2
- Average molar mass
- 294.1 g/mol
- Monoisotopic mass
- 293.0010339
Names & identifiers
- Preferred name
- 4H-1,3-Benzoxazin-4-one, 6-chloro-3-(p-chlorophenyl)-2,3-dihydro-
- IUPAC
- 6-chloro-3-(4-chlorophenyl)-2H-1,3-benzoxazin-4-one
- English name
- 6-Chloro-3-(4-chlorophenyl)-2H-1,3-benzoxazin-4(3H)-one
- Molecular formula
- C14H9Cl2NO2
- Molecular weight
- 294.13
Names & synonyms
BRN 158869720972-98-94H-1,3-BENZOXAZIN-4-ONE, 6-CHLORO-3-(p-CHLOROPHENYL)-2,3-DIHYDRO-DTXSID301751546-Chloro-3-(p-chlorophenyl)-2,3-dihydro-4H-1,3-benzoazin-4-oneRefChem:297041DTXCID20976456-Chloro-3-(4-chlorophenyl)-2H-1,3-benzoxazin-4(3H)-one6-chloro-3-(4-chlorophenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one4H-1,3-Benzoxazin-4-one, 6-chloro-3-(4-chlorophenyl)-2,3-dihydro-6-chloro-3-(4-chloro-phenyl)-2,3-dihydro-benzo[e][1,3]oxazin-4-one
Database identifiers
- CAS
20972-98-9- PubChem CID
- 30403
- DTXSID
DTXSID30175154- Nikkaji
- J67.824D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Boiling point
- 472.8 · 472.8±45.0 °C(Predicted)
- Density
- 1.449 · 1.449±0.06 g/cm3(Predicted)
- pka
- -2.82 · -2.82±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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