1-(3,4-Dichlorophenyl)-7-fluoro-2-[3-(propan-2-yloxy)propyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Basic information
- CAS
847916-27-2- Standard SMILES
CC(C)OCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1ccc(Cl)c(Cl)c1- InChIKey
WJUJMLICYPTIHO-UHFFFAOYSA-N- Molecular formula
- C23H20Cl2FNO4
- Average molar mass
- 464.3 g/mol
Names & identifiers
- Preferred name
- 1-(3,4-Dichlorophenyl)-7-fluoro-2-[3-(propan-2-yloxy)propyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
- IUPAC
- 1-(3,4-dichlorophenyl)-7-fluoro-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
- English name
- 1-(3,4-dichlorophenyl)-7-fluoro-2-[3-(propan-2-yloxy)propyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
- Molecular formula
- C23H20Cl2FNO4
- Molecular weight
- 464.31
Names & synonyms
1-(3,4-dichlorophenyl)-7-fluoro-2-[3-(propan-2-yloxy)propyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dioneSTK906601AKOS005183904Z12137463981-(3,4-dichlorophenyl)-7-fluoro-2-(3-isopropoxypropyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione1-(3,4-dichlorophenyl)-7-fluoro-2-[3-(propan-2-yloxy)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione[1]Benzopyrano[2,3-c]pyrrole-3,9-dione, 1-(3,4-dichlorophenyl)-7-fluoro-1,2-dihydro-2-[3-(1-methylethoxy)propyl]-
Database identifiers
- CAS
847916-27-2
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 745
Physicochemical properties
- Boiling point
- 608.6 · 608.6±55.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- -2.94 · -2.94±0.40(Predicted)
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