2,5-dinitro-9H-fluorene

• ChemBase ID: 108167
• Molecular Formular: C13H8N2O4
• Molecular Mass: 256.21362
• Monoisotopic Mass: 256.04840675
• SMILES: [O-][N+](=O)c1ccc2c(Cc3cccc(c23)[N+](=O)[O-])c1
• Canonical SMILES: [O-][N+](=O)c1ccc2c(c1)Cc1c2c(ccc1)[N+](=O)[O-]
• InChI: InChI=1S/C13H8N2O4/c16-14(17)10-4-5-11-9(7-10)6-8-2-1-3-12(13(8)11)15(18)19/h1-5,7H,6H2
• InChIKey: XHAHNUAISBGLEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dinitro-9H-fluorene
• IUPAC Traditional name: 2,5-dinitro-9H-fluorene
• Synonyms: 2,5-DINITROFLUORENE

Database IDs

• CAS Number: 15110-74-4
• EC Number: 239-159-8
• PubChem SID: 162093911
• PubChem CID: 27047

CALCULATED PROPERTIES

• Acid pKa: 14.608857
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6189878
• LogD (pH = 7.4): 3.6189878
• Log P: 3.6189878
• Molar Refractivity: 69.5228 cm^3
• Polarizability: 26.038204 Å^3
• Polar Surface Area: 91.64 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: LL7170000

DETAILS

MP Biomedicals - 05206309

MP Biomedicals Rare Chemical collection