2,7-diiodo-9H-fluoren-9-one

• ChemBase ID: 232267
• Molecular Formular: C13H6I2O
• Molecular Mass: 431.99508
• Monoisotopic Mass: 431.85081081
• SMILES: c12C(=O)c3c(c1ccc(c2)I)ccc(c3)I
• Canonical SMILES: Ic1ccc2c(c1)C(=O)c1c2ccc(c1)I
• InChI: InChI=1S/C13H6I2O/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6H
• InChIKey: JDLJRWMARKAKIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-diiodo-9H-fluoren-9-one
• IUPAC Traditional name: 2,7-diiodofluoren-9-one
• Synonyms: 2,7-diiodo-9H-fluoren-9-one

Database IDs

• CAS Number: 16218-30-7
• PubChem SID: 164288177
• PubChem CID: 591878

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.9644675
• LogD (pH = 7.4): 4.9644675
• Log P: 4.9644675
• Molar Refractivity: 82.4367 cm^3
• Polarizability: 32.827133 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.395

Product Information

• Purity: 95%