ChemSpider 2D Image | 2-[(Methoxycarbonyl){[(4-nitrobenzyl)oxy]carbonyl}amino]benzenesulfonic acid | C16H14N2O9S

2-[(Methoxycarbonyl){[(4-nitrobenzyl)oxy]carbonyl}amino]benzenesulfonic acid

  • Molecular FormulaC16H14N2O9S
  • Average mass410.355 Da
  • Monoisotopic mass410.041992 Da
  • ChemSpider ID103533701

More details:

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

2-[(Methoxycarbonyl){[(4-nitrobenzyl)oxy]carbonyl}amino]benzenesulfonic acid [ACD/IUPAC Name]
2-[(Methoxycarbonyl){[(4-nitrobenzyl)oxy]carbonyl}amino]benzolsulfonsäure [German] [ACD/IUPAC Name]
Acide 2-[(méthoxycarbonyl){[(4-nitrobenzyl)oxy]carbonyl}amino]benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 2-[(methoxycarbonyl)[[(4-nitrophenyl)methoxy]carbonyl]amino]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 94.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -2.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 72.7±3.0 dyne/cm
Molar Volume: 262.7±3.0 cm3

Click to predict properties on the Chemicalize site


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