Basic information
- CAS
20972-99-0- Standard SMILES
O=C1c2ccccc2OCN1c1ccc(Cl)c(Cl)c1- InChIKey
SCRGSPXSQZBULT-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, 3-(3,4-dichlorophenyl)-2,3-dihydro-
- IUPAC
- 3-(3,4-dichlorophenyl)-2H-1,3-benzoxazin-4-one
- English name
- 3-(3,4-Dichlorophenyl)-2H-1,3-benzoxazin-4(3H)-one
- Molecular formula
- C14H9Cl2NO2
- Molecular weight
- 294.13
Names & synonyms
20972-99-0BRN 15884544H-1,3-BENZOXAZIN-4-ONE, 3-(3,4-DICHLOROPHENYL)-2,3-DIHYDRO-3-(3,4-Dichlorophenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-oneDTXSID90175155RefChem:297035DTXCID70976463-(3,4-Dichlorophenyl)-2H-1,3-benzoxazin-4(3H)-one
Database identifiers
- CAS
20972-99-0- PubChem CID
- 30404
- DTXSID
DTXSID90175155- Nikkaji
- J67.830I
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
- 352
Physicochemical properties
- Boiling point
- 472.8 · 472.8±45.0 °C(Predicted)
- Density
- 1.449 · 1.449±0.06 g/cm3(Predicted)
- pka
- -1.91 · -1.91±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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