Basic information
- CAS
339023-46-0- Standard SMILES
O=C1OC(=CNOCc2ccc(Cl)cc2)c2ccccc21- InChIKey
NMICIYYMRLSRTF-UHFFFAOYSA-N- Molecular formula
- C16H12ClNO3
- Average molar mass
- 301.72 g/mol
Names & identifiers
- Preferred name
- CID 6792295
- IUPAC
- 3-[[(4-chlorophenyl)methoxyamino]methylidene]-2-benzofuran-1-one
- English name
- 3-(([(4-Chlorobenzyl)oxy]amino)methylene)-2-benzofuran-1(3H)-one
- Molecular formula
- C16H12ClNO3
- Molecular weight
- 301.72
Names & synonyms
3-(([(4-Chlorobenzyl)oxy]amino)methylene)-2-benzofuran-1(3H)-one1(3H)-Isobenzofuranone, 3-[[[(4-chlorophenyl)methoxy]amino]methylene]-(3Z)-3-({[(4-chlorophenyl)methoxy]amino}methylidene)-1,3-dihydro-2-benzofuran-1-one
Database identifiers
- CAS
339023-46-0
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Boiling point
- 439.914 · 439.914±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.429 · 1.429±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.362 · -2.362±0.20(predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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