ChemSpider 2D Image | (R)-binapacryl | C15H18N2O6

(R)-binapacryl

  • Molecular FormulaC15H18N2O6
  • Average mass322.313 Da
  • Monoisotopic mass322.116486 Da
  • ChemSpider ID34448759

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-binapacryl
2-[(2R)-2-Butanyl]-4,6-dinitrophenyl 3-methyl-2-butenoate [ACD/IUPAC Name]
2-[(2R)-2-Butanyl]-4,6-dinitrophenyl-3-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 3-methyl-, 2-[(1R)-1-methylpropyl]-4,6-dinitrophenyl ester [ACD/Index Name]
3-Méthyl-2-buténoate de 2-[(2R)-2-butanyl]-4,6-dinitrophényle [French] [ACD/IUPAC Name]
2-[(2R)-butan-2-yl]-4,6-dinitrophenyl 3-methylbut-2-enoate
207-612-9 [EINECS]
485-31-4 [RN]
Binapacryl [BSI] [ISO] [Wiki]
UNII-4X685BB13A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 436.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 171.7±30.7 °C
Index of Refraction: 1.553
Molar Refractivity: 83.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1214.76
ACD/KOC (pH 5.5): 5616.65
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1214.76
ACD/KOC (pH 7.4): 5616.65
Polar Surface Area: 118 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 260.3±3.0 cm3

Click to predict properties on the Chemicalize site


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