3-(2-chlorophenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
Basic information
- CAS
478260-12-7- Standard SMILES
O=C(O)CC(c1ccccc1Cl)N1Cc2ccccc2C1=O- InChIKey
AZQHEZREKZAMPQ-UHFFFAOYSA-N- Molecular formula
- C17H14ClNO3
- Average molar mass
- 315.7 g/mol
Names & identifiers
- Preferred name
- 3-(2-chlorophenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
- IUPAC
- 3-(2-chlorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid
- English name
- 3-(2-Chlorophenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
- Molecular formula
- C17H14ClNO3
- Molecular weight
- 315.75
Names & synonyms
478260-12-73-(2-chlorophenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid3-(2-chlorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic Acid3-(2-chlorophenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acidMFCD025714183-(2-chlorophenyl)-3-(1-oxoisoindolin-2-yl)propanoic acidOprea1_503386AKOS0051019588R-06383-(2-chlorophenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoicacid2H-Isoindole-2-propanoic acid, β-(2-chlorophenyl)-1,3-dihydro-1-oxo-
Database identifiers
- CAS
478260-12-7
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 442
Physicochemical properties
- Boiling point
- 532.3 · 532.3±50.0 °C(Predicted)
- Density
- 1.405 · 1.405±0.06 g/cm3(Predicted)
- pka
- 4.11 · 4.11±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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