3-Chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
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Basic information
- CAS
303034-21-1- Standard SMILES
Cc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C)c(Cl)c3)C2=O)cc1- InChIKey
PUEFBUWSTGLQOY-UHFFFAOYSA-N- Molecular formula
- C18H14Cl2N2O2
- Average molar mass
- 361.2 g/mol
- Monoisotopic mass
- 360.0432331
Names & identifiers
- Preferred name
- 3-Chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
- IUPAC
- 3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
- English name
- 3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)-1H-pyrrole-2,5-dione
- Molecular formula
- C18H14Cl2N2O2
- Molecular weight
- 361.22
Names & synonyms
3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)-1H-pyrrole-2,5-dioneAKOS002263991ST50189411AF-399/141835683-chloro-4-[(3-chloro-4-methylphenyl)amino]-1-(4-methylphenyl)azoline-2,5-dion e303034-21-11H-Pyrrole-2,5-dione, 3-chloro-4-[(3-chloro-4-methylphenyl)amino]-1-(4-methylphenyl)-
Database identifiers
- CAS
303034-21-1- PubChem CID
- 1033955
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 555
Physicochemical properties
- Boiling point
- 472.5 · 472.5±45.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- -3.13 · -3.13±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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