Basic information
- CAS
299963-55-6- Standard SMILES
O=C(O)c1ccccc1N1C(=O)c2ccc(F)cc2C1=O- InChIKey
RHKMWLWZYDVGSY-UHFFFAOYSA-N- Molecular formula
- C15H8FNO4
- Average molar mass
- 285.23 g/mol
- Monoisotopic mass
- 285.0437359
Names & identifiers
- Preferred name
- 2-(5-Fluoro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-benzoic acid
- IUPAC
- 2-(5-fluoro-1,3-dioxoisoindol-2-yl)benzoic acid
- English name
- 2-(5-FLUORO-1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BENZOIC ACID
- Molecular formula
- C15H8FNO4
- Molecular weight
- 285.23
Names & synonyms
299963-55-62-(5-Fluoro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-benzoic acidDTXSID40355046RefChem:252922DTXCID103061062-(5-Fluoro-1,3-dioxoisoindolin-2-yl)benzoic acid2-(5-fluoro-1,3-dioxoisoindol-2-yl)benzoic acid2-(5-fluoro-1,3-dioxo-1,3-dihydroisoindol-2-yl)benzoic acidOprea1_241886Oprea1_355429AKOS000581984SB65786
Show more names
Benzoic acid, 2-(5-fluoro-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-
ST40233762-(5-Fluoro-1,3-dioxoisoindolin-2-yl)benzoicacid2-(5-fluoro-1,3-dioxo-isoindolin-2-yl)benzoic acid2-(5-Fluoro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
Database identifiers
- CAS
299963-55-6- PubChem CID
- 790109
- DTXSID
DTXSID40355046
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 480
Physicochemical properties
- Boiling point
- 504.7 · 504.7±60.0 °C(Predicted)
- Density
- 1.554 · 1.554±0.06 g/cm3(Predicted)
- pka
- 3.41 · 3.41±0.36(Predicted)
Chemistry & industry
Suppliers3 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…