Basic information
- CAS
89538-42-1- Standard SMILES
CC(c1ccc(Cl)cc1)N1C(=O)C(Cl)=C(Cl)C1=O- InChIKey
IEOSUJKIEXJVFY-UHFFFAOYSA-N- Molecular formula
- C12H8Cl3NO2
- Average molar mass
- 304.6 g/mol
- Monoisotopic mass
- 302.962062
Names & identifiers
- Preferred name
- 3,4-Dichloro-1-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2,5-dione
- IUPAC
- 3,4-dichloro-1-[1-(4-chlorophenyl)ethyl]pyrrole-2,5-dione
Names & synonyms
89538-42-1DTXSID405349953,4-Dichloro-1-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2,5-dione
Database identifiers
- CAS
89538-42-1- PubChem CID
- 13290331
- DTXSID
DTXSID40534995
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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