ChemSpider 2D Image | MFCD00635354 | C27H20N4O9S2

MFCD00635354

  • Molecular FormulaC27H20N4O9S2
  • Average mass608.599 Da
  • Monoisotopic mass608.067139 Da
  • ChemSpider ID2351030

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9H-Fluorene-2,7-disulfonamide, N2,N7-bis(4-methylphenyl)-4,5-dinitro-9-oxo- [ACD/Index Name]
MFCD00635354
N,N'-Bis(4-methylphenyl)-4,5-dinitro-9-oxo-9H-fluoren-2,7-disulfonamid [German] [ACD/IUPAC Name]
N,N'-Bis(4-methylphenyl)-4,5-dinitro-9-oxo-9H-fluorene-2,7-disulfonamide [ACD/IUPAC Name]
N,N'-Bis(4-méthylphényl)-4,5-dinitro-9-oxo-9H-fluorène-2,7-disulfonamide [French] [ACD/IUPAC Name]
4,5-Dinitro-9-oxo-9H-fluorene-2,7-disulfonic acid bis-p-tolylamide
ZINC05344907

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BAS 00228040 [DBID]
ChemDiv1_020027 [DBID]
EU-0068351 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 856.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.4±3.0 kJ/mol
Flash Point: 471.7±37.1 °C
Index of Refraction: 1.720
Molar Refractivity: 149.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1245.42
ACD/KOC (pH 5.5): 5610.71
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 104.19
ACD/KOC (pH 7.4): 469.39
Polar Surface Area: 218 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 81.7±3.0 dyne/cm
Molar Volume: 379.3±3.0 cm3

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