5-(4-chlorophenoxy)-2-(2-hydroxyphenyl)-1H-isoindole-1,3(2H)-dione
Basic information
- CAS
664974-19-0- Standard SMILES
O=C1c2ccc(Oc3ccc(Cl)cc3)cc2C(=O)N1c1ccccc1O- InChIKey
OPYITLSYJRSYEJ-UHFFFAOYSA-N- Molecular formula
- C20H12ClNO4
- Average molar mass
- 365.8 g/mol
Names & identifiers
- Preferred name
- 5-(4-chlorophenoxy)-2-(2-hydroxyphenyl)-1H-isoindole-1,3(2H)-dione
- IUPAC
- 5-(4-chlorophenoxy)-2-(2-hydroxyphenyl)isoindole-1,3-dione
- English name
- 5-(4-chlorophenoxy)-2-(2-hydroxyphenyl)-1H-isoindole-1,3(2H)-dione
- Molecular formula
- C20H12ClNO4
- Molecular weight
- 365.77
Names & synonyms
5-(4-chlorophenoxy)-2-(2-hydroxyphenyl)-1H-isoindole-1,3(2H)-dione5-(4-chlorophenoxy)-2-(2-hydroxyphenyl)isoindole-1,3-dioneSTK201360AKOS003646514AK-918/416758231H-Isoindole-1,3(2H)-dione, 5-(4-chlorophenoxy)-2-(2-hydroxyphenyl)-
Database identifiers
- CAS
664974-19-0
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 548
Physicochemical properties
- Boiling point
- 554.1 · 554.1±60.0 °C(Predicted)
- Density
- 1.476 · 1.476±0.06 g/cm3(Predicted)
- pka
- 9.31 · 9.31±0.35(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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