Basic information
- CAS
65146-53-4- Standard SMILES
O=C(CN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl- InChIKey
PBCLERVOOCVHEI-UHFFFAOYSA-N- Molecular formula
- C16H9Cl2NO3
- Average molar mass
- 334.1 g/mol
- Monoisotopic mass
- 332.99594851
Names & identifiers
- Preferred name
- 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]isoindole-1,3-dione
- English name
- 1H-Isoindole-1,3(2H)-dione, 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-
- Molecular formula
- C16H9Cl2NO3
- Molecular weight
- 334.15
Names & synonyms
65146-53-42-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione2-[2-(2,4-dichlorophenyl)-2-oxoethyl]isoindole-1,3-dione2-(2-(2,4-dichlorophenyl)-2-oxoethyl)isoindoline-1,3-dione2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2,3-dihydro-1H-isoindole-1,3-dioneMFCD002195062-[2-(2,4-dichlorophenyl)-2-oxoethyl]isoindoline-1,3-dioneOprea1_334441SCHEMBL5093510DTXSID20353101PBCLERVOOCVHEI-UHFFFAOYSA-NSTK877881
Show more names
1H-Isoindole-1,3(2H)-dione, 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-
AKOS00148362210E-316SCS-0322715ST510389781-(2,4-Dichlorophenyl)-2-phthalimidoethanoneSR-01000390590SR-01000390590-12-[2-(2,4-dichlorophenyl) -2-oxoethyl]isoindoline-1,3-dione
Database identifiers
- CAS
65146-53-4- PubChem CID
- 736778
- DTXSID
DTXSID20353101
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 472
Physicochemical properties
- Melting point
- 154 · 154-155 °C
- Boiling point
- 488.1 · 488.1±35.0 °C(Predicted)
- Density
- 1.495 · 1.495±0.06 g/cm3(Predicted)
- pka
- -2.52 · -2.52±0.20(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
78 records
Compound notes
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