1-benzyl-3,4-dichloro-1H-pyrrole-2,5-dione
Basic information
- CAS
16114-24-2- Standard SMILES
O=C1C(Cl)=C(Cl)C(=O)N1Cc1ccccc1- InChIKey
AMPIBHISOFMVMB-UHFFFAOYSA-N- Molecular formula
- C11H7Cl2NO2
- Average molar mass
- 256.08 g/mol
- Monoisotopic mass
- 254.9853839
Names & identifiers
- Preferred name
- 1-benzyl-3,4-dichloro-1H-pyrrole-2,5-dione
- IUPAC
- 1-benzyl-3,4-dichloropyrrole-2,5-dione
- English name
- N-Benzyl-2,3-dichloromaleimide
- Molecular formula
- C11H7Cl2NO2
- Molecular weight
- 256.08
Names & synonyms
1-benzyl-3,4-dichloro-1H-pyrrole-2,5-dione16114-24-2DTXSID50352026RefChem:227983DTXCID903030921H-Pyrrole-2,5-dione, 3,4-dichloro-1-(phenylmethyl)-3,4-dichloro-1-benzylazoline-2,5-dione1-benzyl-3,4-dichloropyrrole-2,5-dioneSCHEMBL5049894CHEMBL1774735SBB101670AKOS002262932
Show more names
N-Benzyl-2,3-dichloromaleimide
ST025568AB-131/42300970F1268-0182
Database identifiers
- CAS
16114-24-2- PubChem CID
- 716772
- DTXSID
DTXSID50352026- ChEMBL
CHEMBL1774735- Nikkaji
- J850.224B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Melting point
- 111.5 °C · 111.5 °C
- Boiling point
- 345.7 · 345.7±42.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- -6.26 · -6.26±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…