ChemSpider 2D Image | 4-(2,4-bis-(3-nitrobenzoylamino)phenoxy)phthalic acid | C28H18N4O11

4-(2,4-bis-(3-nitrobenzoylamino)phenoxy)phthalic acid

  • Molecular FormulaC28H18N4O11
  • Average mass586.463 Da
  • Monoisotopic mass586.097229 Da
  • ChemSpider ID571331

More details:






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

1,2-Benzenedicarboxylic acid, 4-[2,4-bis[(3-nitrobenzoyl)amino]phenoxy]- [ACD/Index Name]
4-(2,4-bis-(3-nitrobenzoylamino)phenoxy)phthalic acid
4-{2,4-Bis[(3-nitrobenzoyl)amino]phenoxy}phthalic acid [ACD/IUPAC Name]
4-{2,4-Bis[(3-nitrobenzoyl)amino]phenoxy}phthalsäure [German] [ACD/IUPAC Name]
Acide 4-{2,4-bis[(3-nitrobenzoyl)amino]phénoxy}phtalique [French] [ACD/IUPAC Name]
4-[2,4-bis(3-nitrobenzamido)phenoxy]benzene-1,2-dicarboxylic acid
4-{2,4-bis[(3-nitrobenzene)amido]phenoxy}benzene-1,2-dicarboxylic acid
CHEMBL331057

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 680.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 365.0±31.5 °C
Index of Refraction: 1.747
Molar Refractivity: 148.8±0.3 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.73
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 234 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 85.0±3.0 dyne/cm
Molar Volume: 366.5±3.0 cm3

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