9,9-dichloro-2-nitro-9H-fluorene

• ChemBase ID: 83735
• Molecular Formular: C13H7Cl2NO2
• Molecular Mass: 280.10618
• Monoisotopic Mass: 278.98538383
• SMILES: [N+](=O)(c1cc2c(cc1)c1ccccc1C2(Cl)Cl)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc2c(c1)C(Cl)(Cl)c1c2cccc1
• InChI: InChI=1S/C13H7Cl2NO2/c14-13(15)11-4-2-1-3-9(11)10-6-5-8(16(17)18)7-12(10)13/h1-7H
• InChIKey: OTMGFWXYSTZAHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00156626
• PubChem SID: 162070852
• PubChem CID: 2780838

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.801932
• LogD (pH = 7.4): 4.801932
• Log P: 4.801932
• Molar Refractivity: 72.1021 cm^3
• Polarizability: 27.893604 Å^3
• Polar Surface Area: 45.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true