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Basic information
- CAS
478048-78-1- Standard SMILES
O=C1c2ccccc2C(=O)N1Cc1cc(-c2ccc(Cl)cc2)no1- InChIKey
FWAUKGLQFZAWAN-UHFFFAOYSA-N- Molecular formula
- C18H11ClN2O3
- Average molar mass
- 338.75 g/mol
- Monoisotopic mass
- 338.04581989
Names & identifiers
- Preferred name
- 2-[[3-(4-Chlorophenyl)-5-isoxazolyl]methyl]-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-{[3-(4-Chlorophenyl)-1,2-oxazol-5-yl]methyl}-1H-isoindole-1,3(2H)-dione
- English name
- 2-([3-(4-Chlorophenyl)-5-isoxazolyl]methyl)-1H-isoindole-1,3(2H)-dione
- Molecular formula
- C18H11ClN2O3
- Molecular weight
- 338.74
Names & synonyms
2-([3-(4-Chlorophenyl)-5-isoxazolyl]methyl)-1H-isoindole-1,3(2H)-dione1H-Isoindole-1,3(2H)-dione, 2-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-2-{[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione
Database identifiers
- CAS
478048-78-1- PubChem CID
- 1479596
- DTXSID
DTXSID801153404- ChEMBL
CHEMBL2131001
Properties
Physicochemical properties
- Melting point
- 173 · 173-175 °C(Solv: ethanol (64-17-5))
- Boiling point
- 534.7 · 534.7±45.0 °C(Predicted)
- Density
- 1.446 · 1.446±0.06 g/cm3(Predicted)
- pka
- -2.45 · -2.45±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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