2-(4-Fluorophenyl)-1,3-dioxoisoindoline-5-carboxylic acid
Basic information
- CAS
110768-19-9- Standard SMILES
O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O- InChIKey
JVIPLYCGEZUBIO-UHFFFAOYSA-N- Molecular formula
- C15H8FNO4
- Average molar mass
- 285.23 g/mol
- Monoisotopic mass
- 285.0437359
Names & identifiers
- Preferred name
- 2-(4-Fluorophenyl)-1,3-dioxoisoindoline-5-carboxylic acid
- IUPAC
- 2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxylic acid
- English name
- 2-(4-Fluoro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
- Molecular formula
- C15H8FNO4
- Molecular weight
- 285.23
Names & synonyms
110768-19-92-(4-fluorophenyl)-1,3-dioxoisoindoline-5-carboxylic acid2-(4-fluorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxylic acidMFCD001873372-(4-Fluoro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid1H-isoindole-5-carboxylic acid, 2-(4-fluorophenyl)-2,3-dihydro-1,3-dioxo-Oprea1_310643Oprea1_866528SCHEMBL5012322DTXSID70356829ALBB-010602
Show more names
EU-0067212BAS 00084713AKOS BBR-003784AKOS BBS-00009651OTAVA-BB 7020410138CHEMBRDG-BB 5160677OTAVA-BB BB7020410138
BBL012172SBB016620STK391571AKOS000117165AT29808SB64736VS-03217DB-028199
Database identifiers
- CAS
110768-19-9- PubChem CID
- 834733
- DTXSID
DTXSID70356829
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 472
Physicochemical properties
- Boiling point
- 540.2 · 540.2±60.0 °C(Predicted)
- Density
- 1.554 · 1.554±0.06 g/cm3(Predicted)
- pka
- 3.31 · 3.31±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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