1-(2-chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 34280
• Molecular Formular: C10H6ClNO2
• Molecular Mass: 207.61314
• Monoisotopic Mass: 207.00870612
• SMILES: C1(=O)N(C(=O)C=C1)c1ccccc1Cl
• Canonical SMILES: O=C1C=CC(=O)N1c1ccccc1Cl
• InChI: InChI=1S/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H
• InChIKey: KPQOXMCRYWDRSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-(2-chlorophenyl)pyrrole-2,5-dione
• Synonyms: 1-(2-Chlorophenyl)-1H-pyrrole-2,5-dione; N-(2-CHLOROPHENYL)MALEIMIDE

Database IDs

• CAS Number: 1203-24-3
• MDL Number: MFCD00022562
• PubChem SID: 160997587
• PubChem CID: 14550

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8497756
• LogD (pH = 7.4): 1.8497763
• Log P: 1.8497763
• Molar Refractivity: 52.8305 cm^3
• Polarizability: 19.911575 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

DETAILS

MP Biomedicals - 05226212

MP Biomedicals Rare Chemical collection