2,4,5,7-tetranitro-9H-fluorene

• ChemBase ID: 79694
• Molecular Formular: C13H6N4O8
• Molecular Mass: 346.20874
• Monoisotopic Mass: 346.01856317
• SMILES: [N+](=O)(c1cc(cc2c1c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C2)[N+](=O)[O-])[O-]
• Canonical SMILES: [O-][N+](=O)c1cc(cc2c1c1c(C2)cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C13H6N4O8/c18-14(19)8-2-6-1-7-3-9(15(20)21)5-11(17(24)25)13(7)12(6)10(4-8)16(22)23/h2-5H,1H2
• InChIKey: BFIMWJCWLWGDOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,5,7-tetranitro-9H-fluorene
• IUPAC Traditional name: 2,4,5,7-tetranitro-9H-fluorene
• Synonyms: 2,4,5,7-tetranitro-9H-fluorene

Database IDs

• MDL Number: MFCD00180007
• PubChem SID: 162044457
• PubChem CID: 2775331

CALCULATED PROPERTIES

• Acid pKa: 11.486975
• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 3.4989557
• LogD (pH = 7.4): 3.4989207
• Log P: 3.4989562
• Molar Refractivity: 84.1722 cm^3
• Polarizability: 30.052246 Å^3
• Polar Surface Area: 183.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true