1-(3,4-dichlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 61274
• Molecular Formular: C10H5Cl2NO2
• Molecular Mass: 242.0582
• Monoisotopic Mass: 240.96973377
• SMILES: N1(c2cc(c(cc2)Cl)Cl)C(=O)C=CC1=O
• Canonical SMILES: O=C1C=CC(=O)N1c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C10H5Cl2NO2/c11-7-2-1-6(5-8(7)12)13-9(14)3-4-10(13)15/h1-5H
• InChIKey: PJBXBDSTURWRBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,4-dichlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-(3,4-dichlorophenyl)pyrrole-2,5-dione
• Synonyms: 1-(3,4-Dichlorophenyl)maleimide; 1-(3,4-Dichloro-phenyl)-pyrrole-2,5-dione; 1-(3,4-Dichlorophenyl)-1H-pyrrole-2,5-dione

Database IDs

• CAS Number: 19844-27-0
• MDL Number: MFCD00540221
• PubChem SID: 162027015
• PubChem CID: 708301

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4538202
• LogD (pH = 7.4): 2.453821
• Log P: 2.453821
• Molar Refractivity: 57.6353 cm^3
• Polarizability: 21.863392 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.833

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%