bis(3-iodophenyl)methanone

• ChemBase ID: 58399
• Molecular Formular: C13H8I2O
• Molecular Mass: 434.01096
• Monoisotopic Mass: 433.86646088
• SMILES: c1(cccc(c1)C(=O)c1cccc(c1)I)I
• Canonical SMILES: Ic1cccc(c1)C(=O)c1cccc(c1)I
• InChI: InChI=1S/C13H8I2O/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H
• InChIKey: NKUNBQOGOCFLNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(3-iodophenyl)methanone
• IUPAC Traditional name: bis(3-iodophenyl)methanone
• Synonyms: Bis(3-iodophenyl)methanone

Database IDs

• CAS Number: 25186-99-6
• MDL Number: MFCD00227471
• PubChem SID: 162063162
• PubChem CID: 3908404

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.290488
• LogD (pH = 7.4): 5.290488
• Log P: 5.290488
• Molar Refractivity: 83.3585 cm^3
• Polarizability: 32.310352 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false