2-iodo-9H-fluoren-9-one

• ChemBase ID: 79697
• Molecular Formular: C13H7IO
• Molecular Mass: 306.09855
• Monoisotopic Mass: 305.95416284
• SMILES: O=C1c2c(ccc(c2)I)c2c1cccc2
• Canonical SMILES: Ic1ccc2c(c1)C(=O)c1c2cccc1
• InChI: InChI=1S/C13H7IO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H
• InChIKey: VRRWYZJLVCUFPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodo-9H-fluoren-9-one
• IUPAC Traditional name: 2-iodofluoren-9-one
• Synonyms: 2-iodo-9H-fluoren-9-one

Database IDs

• CAS Number: 3096-46-6
• MDL Number: MFCD00082984
• PubChem SID: 162044460
• PubChem CID: 248617

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.035523
• LogD (pH = 7.4): 4.035523
• Log P: 4.035523
• Molar Refractivity: 69.0742 cm^3
• Polarizability: 27.55005 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true