ChemSpider 2D Image | (2S)-2-[4-(Benzyloxy)-3-nitrophenyl]oxirane | C15H13NO4

(2S)-2-[4-(Benzyloxy)-3-nitrophenyl]oxirane

  • Molecular FormulaC15H13NO4
  • Average mass271.268 Da
  • Monoisotopic mass271.084473 Da
  • ChemSpider ID21187612

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[4-(Benzyloxy)-3-nitrophenyl]oxiran [German] [ACD/IUPAC Name]
(2S)-2-[4-(Benzyloxy)-3-nitrophenyl]oxirane [ACD/IUPAC Name]
(2S)-2-[4-(Benzyloxy)-3-nitrophényl]oxirane [French] [ACD/IUPAC Name]
Oxirane, 2-[3-nitro-4-(phenylmethoxy)phenyl]-, (2S)- [ACD/Index Name]
(S)-2-(4-(benzyloxy)-3-nitrophenyl)oxirane
188730-96-3 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 438.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 195.6±30.7 °C
Index of Refraction: 1.630
Molar Refractivity: 73.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.59
ACD/KOC (pH 5.5): 601.58
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.59
ACD/KOC (pH 7.4): 601.58
Polar Surface Area: 68 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 205.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement