(2-iodophenyl)(phenyl)methanone

• ChemBase ID: 9983
• Molecular Formular: C13H9IO
• Molecular Mass: 308.11443
• Monoisotopic Mass: 307.96981291
• SMILES: c1ccc(I)c(c1)C(=O)c1ccccc1
• Canonical SMILES: Ic1ccccc1C(=O)c1ccccc1
• InChI: InChI=1S/C13H9IO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H
• InChIKey: MEIFVWINIHKENC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-iodophenyl)(phenyl)methanone
• IUPAC Traditional name: (2-iodophenyl)(phenyl)methanone
• Synonyms: 2-Iodobenzophenone

Database IDs

• CAS Number: 25187-00-2
• MDL Number: MFCD00270108
• PubChem SID: 160973290
• PubChem CID: 2759359

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 4.361543
• LogD (pH = 7.4): 4.361543
• Log P: 4.361543
• Molar Refractivity: 69.996 cm^3
• Polarizability: 26.981321 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1

PROPERTIES

Physical Property

• Density: 1.63

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%