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

• ChemBase ID: 44205
• Molecular Formular: C10H6INO2
• Molecular Mass: 299.06461
• Monoisotopic Mass: 298.94432644
• SMILES: N1(C(=O)C=CC1=O)c1ccc(cc1)I
• Canonical SMILES: O=C1C=CC(=O)N1c1ccc(cc1)I
• InChI: InChI=1S/C10H6INO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
• InChIKey: GIXQASIEVHMYQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-iodophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-(4-iodophenyl)pyrrole-2,5-dione
• Synonyms: 1-(4-Iodophenyl)-1H-pyrrole-2,5-dione; 1-(4-iodophenyl)-1H-pyrrole-2,5-dione; N-(4-Iodophenyl)maleimide; N-4-IODOPHENYL MALEIMIDE

Database IDs

• CAS Number: 65833-01-4
• MDL Number: MFCD00022575
• PubChem SID: 162048968
• PubChem CID: 96758

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1746752
• LogD (pH = 7.4): 2.174676
• Log P: 2.1746762
• Molar Refractivity: 61.3882 cm^3
• Polarizability: 23.232042 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142°C; 160 °C; 160°C

Safety Information

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

Product Information

• Purity: >95%

DETAILS

MP Biomedicals - 05221094

MP Biomedicals Rare Chemical collection