1,2-diethoxy-4,5-dinitrobenzene

• ChemBase ID: 120459
• Molecular Formular: C10H12N2O6
• Molecular Mass: 256.21208
• Monoisotopic Mass: 256.06953611
• SMILES: c1(c([N+](=O)[O-])cc(c(c1)OCC)OCC)[N+](=O)[O-]
• Canonical SMILES: CCOc1cc([N+](=O)[O-])c(cc1OCC)[N+](=O)[O-]
• InChI: InChI=1S/C10H12N2O6/c1-3-17-9-5-7(11(13)14)8(12(15)16)6-10(9)18-4-2/h5-6H,3-4H2,1-2H3
• InChIKey: YLZQXWYRDKWMOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-diethoxy-4,5-dinitrobenzene
• IUPAC Traditional name: 1,2-diethoxy-4,5-dinitrobenzene
• Synonyms: 1,2-diethoxy-4,5-dinitrobenzene

Database IDs

• PubChem SID: 162214812
• PubChem CID: 2771898

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.2514875
• LogD (pH = 7.4): 2.2514875
• Log P: 2.2514875
• Molar Refractivity: 63.131 cm^3
• Polarizability: 22.981277 Å^3
• Polar Surface Area: 110.1 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true