9-[(2-chlorophenyl)methylidene]-2,4,5,7-tetranitro-9H-fluorene

• ChemBase ID: 79892
• Molecular Formular: C20H9ClN4O8
• Molecular Mass: 468.76046
• Monoisotopic Mass: 468.01089095
• SMILES: [N+](=O)(c1cc(cc2c1c1c(cc(cc1/C/2=C/c1c(cccc1)Cl)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[O-]
• Canonical SMILES: Clc1ccccc1/C=C/1\c2cc(cc(c2c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C20H9ClN4O8/c21-16-4-2-1-3-10(16)5-13-14-6-11(22(26)27)8-17(24(30)31)19(14)20-15(13)7-12(23(28)29)9-18(20)25(32)33/h1-9H
• InChIKey: NTKRQRUYXJMTOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-[(2-chlorophenyl)methylidene]-2,4,5,7-tetranitro-9H-fluorene
• IUPAC Traditional name: 9-[(2-chlorophenyl)methylidene]-2,4,5,7-tetranitrofluorene
• Synonyms: 9-(2-chlorobenzylidene)-2,4,5,7-tetranitro-9H-fluorene

Database IDs

• MDL Number: MFCD00218527
• PubChem SID: 162044655
• PubChem CID: 2775581

CALCULATED PROPERTIES

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 5.7842464
• LogD (pH = 7.4): 5.7842464
• Log P: 5.7842464
• Molar Refractivity: 128.2473 cm^3
• Polarizability: 43.2239 Å^3
• Polar Surface Area: 183.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false