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

• ChemBase ID: 61295
• Molecular Formular: C10H5Cl2NO2
• Molecular Mass: 242.0582
• Monoisotopic Mass: 240.96973377
• SMILES: N1(c2c(c(Cl)ccc2)Cl)C(=O)C=CC1=O
• Canonical SMILES: O=C1C=CC(=O)N1c1cccc(c1Cl)Cl
• InChI: InChI=1S/C10H5Cl2NO2/c11-6-2-1-3-7(10(6)12)13-8(14)4-5-9(13)15/h1-5H
• InChIKey: YSVTWQFPUVGTDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 37010-53-0
• MDL Number: MFCD00125901
• PubChem SID: 162027036
• PubChem CID: 609937

CALCULATED PROPERTIES

• Polarizability: 21.878557 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• 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

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%