2-iodo-9,9-dimethyl-9H-fluorene

• ChemBase ID: 291735
• Molecular Formular: C15H13I
• Molecular Mass: 320.16819
• Monoisotopic Mass: 320.00619842
• SMILES: CC1(C)c2c(c3c1cccc3)ccc(I)c2
• Canonical SMILES: Ic1ccc2c(c1)C(C)(C)c1c2cccc1
• InChI: InChI=1S/C15H13I/c1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15/h3-9H,1-2H3
• InChIKey: DVLSJPCXPNKPRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodo-9,9-dimethyl-9H-fluorene
• IUPAC Traditional name: 2-iodo-9,9-dimethylfluorene
• Synonyms: 2-Iodo-9,9-dimethyl-9H-fluorene; 9,9-Dimethyl-2-iodofluorene

Database IDs

• CAS Number: 144981-85-1
• MDL Number: MFCD12024272
• PubChem SID: 180677266
• PubChem CID: 11023630

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.25503
• LogD (pH = 7.4): 5.25503
• Log P: 5.25503
• Molar Refractivity: 87.754 cm^3
• Polarizability: 30.885235 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%; 97%