Basic information
- CAS
313958-67-7- Standard SMILES
O=C1CC(Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1I- InChIKey
IKNJMRVYVUXVNO-UHFFFAOYSA-N- Molecular formula
- C17H13ClINO2
- Average molar mass
- 425.6 g/mol
Names & identifiers
- Preferred name
- 3-(4-Chloro-benzyl)-1-(2-iodo-phenyl)-pyrrolidine-2,5-dione
- IUPAC
- 3-[(4-chlorophenyl)methyl]-1-(2-iodophenyl)pyrrolidine-2,5-dione
- English name
- 3-(4-chlorobenzyl)-1-(2-iodophenyl)-2,5-pyrrolidinedione
- Molecular formula
- C17H13ClINO2
- Molecular weight
- 425.65
Names & synonyms
3-(4-Chloro-benzyl)-1-(2-iodo-phenyl)-pyrrolidine-2,5-dione3-[(4-chlorophenyl)methyl]-1-(2-iodophenyl)pyrrolidine-2,5-dioneIKNJMRVYVUXVNO-UHFFFAOYSA-NOprea1_660065Oprea1_777846STL442272AKOS000620476AKOS021984387EU-0034840ST50231575AG-690/36932158SR-01000400766
Show more names
2,5-Pyrrolidinedione, 3-[(4-chlorophenyl)methyl]-1-(2-iodophenyl)-
SR-01000400766-13-(4-Chlorobenzyl)-1-(2-iodophenyl)-2,5-pyrrolidinedione3-(4-chlorobenzyl)-1-(2-iodophenyl)pyrrolidine-2,5-dione3-(4-Chlorobenzyl)-1-(2-iodophenyl)-2,5-pyrrolidinedione #3-[(4-chlorophenyl)methyl]-1-(2-iodophenyl)azolidine-2,5-dione
Database identifiers
- CAS
313958-67-7
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Boiling point
- 562.4 · 562.4±30.0 °C(Predicted)
- Density
- 1.707 · 1.707±0.06 g/cm3(Predicted)
- pka
- -1.36 · -1.36±0.40(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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