3-(2-fluorophenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
Basic information
- CAS
383148-31-0- Standard SMILES
O=C(O)CC(c1ccccc1F)N1Cc2ccccc2C1=O- InChIKey
WNQHDKVVLDTCQY-UHFFFAOYSA-N- Molecular formula
- C17H14FNO3
- Average molar mass
- 299.3 g/mol
- Monoisotopic mass
- 299.09577147
Names & identifiers
- Preferred name
- 3-(2-fluorophenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
- IUPAC
- 3-(2-fluorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid
- English name
- 3-(2-Fluorophenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
- Molecular formula
- C17H14FNO3
- Molecular weight
- 299.3
Names & synonyms
383148-31-03-(2-fluorophenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid3-(2-fluorophenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid3-(2-fluorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic Acid3-(2-Fluorophenyl)-3-(1-oxoisoindolin-2-yl)propanoic acidMFCD03011837Oprea1_179628MLS001165909CHEMBL1545035DTXSID701327339HMS2873K18AKOS005083888
Show more names
2H-Isoindole-2-propanoic acid, β-(2-fluorophenyl)-1,3-dihydro-1-oxo-
SMR000550184CS-03594551T-06293-(2-fluorophenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoicacid
Database identifiers
- CAS
383148-31-0- PubChem CID
- 3565876
- DTXSID
DTXSID701327339- ChEMBL
CHEMBL1545035
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 442
Experimental & physicochemical properties
Solubility43.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 506.1 · 506.1±50.0 °C(Predicted)
- Density
- 1.379 · 1.379±0.06 g/cm3(Predicted)
- pka
- 4.15 · 4.15±0.10(Predicted)
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…