9,9-dimethyl-2-nitro-9H-fluorene

• ChemBase ID: 290059
• Molecular Formular: C15H13NO2
• Molecular Mass: 239.26922
• Monoisotopic Mass: 239.09462866
• SMILES: O=[N+](c1cc2C(C)(C)c3c(cccc3)c2cc1)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc2c(c1)C(C)(C)c1c2cccc1
• InChI: InChI=1S/C15H13NO2/c1-15(2)13-6-4-3-5-11(13)12-8-7-10(16(17)18)9-14(12)15/h3-9H,1-2H3
• InChIKey: SPNVINZCDHRVAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,9-dimethyl-2-nitro-9H-fluorene
• IUPAC Traditional name: 9,9-dimethyl-2-nitrofluorene
• Synonyms: 9,9-Dimethyl-2-nitro-9H-fluorene

Database IDs

• CAS Number: 605644-46-0
• PubChem SID: 180675590
• PubChem CID: 46912048

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.26607
• LogD (pH = 7.4): 4.26607
• Log P: 4.26607
• Molar Refractivity: 80.712 cm^3
• Polarizability: 27.869635 Å^3
• Polar Surface Area: 43.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%