ChemSpider 2D Image | N-{[(1R,2S,6R,7S)-3,5-Dioxo-4,10-dioxatricyclo[5.2.1.0~2,6~]dec-8-en-1-yl]methyl}-3-nitrobenzamide | C16H12N2O7

N-{[(1R,2S,6R,7S)-3,5-Dioxo-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-1-yl]methyl}-3-nitrobenzamide

  • Molecular FormulaC16H12N2O7
  • Average mass344.276 Da
  • Monoisotopic mass344.064453 Da
  • ChemSpider ID32841851

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Benzamide, 3-nitro-N-[[(3aS,4R,7S,7aR)-3,3a,7,7a-tetrahydro-1,3-dioxo-4,7-epoxyisobenzofuran-4(1H)-yl]methyl]- [ACD/Index Name]
N-{[(1R,2S,6R,7S)-3,5-Dioxo-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-1-yl]methyl}-3-nitrobenzamid [German] [ACD/IUPAC Name]
N-{[(1R,2S,6R,7S)-3,5-Dioxo-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-1-yl]methyl}-3-nitrobenzamide [ACD/IUPAC Name]
N-{[(1R,2S,6R,7S)-3,5-Dioxo-4,10-dioxatricyclo[5.2.1.02,6]déc-8-én-1-yl]méthyl}-3-nitrobenzamide [French] [ACD/IUPAC Name]
1418113-65-1 [RN]
exo-cis-(±)-1-(Benzylamido-methyl-3-nitro)-7-oxabicyclo[2.2.1]hept-5-en-2,3-dicarboxylic anhydride
MFCD20481960
N-{[(1R,2S,6R,7S)-3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-1-yl]methyl}-3-nitrobenzamide
TS-7239

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

Density: 1.6±0.1 g/cm3
Boiling Point: 637.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 339.2±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 80.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.24
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.22
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.22
Polar Surface Area: 128 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 69.2±3.0 dyne/cm
Molar Volume: 220.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement