ChemSpider 2D Image | (3S)-3-(Bromomethyl)-3-ethyltetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine-1,4(3H)-dione | C10H14BrNO3

(3S)-3-(Bromomethyl)-3-ethyltetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine-1,4(3H)-dione

  • Molecular FormulaC10H14BrNO3
  • Average mass276.127 Da
  • Monoisotopic mass275.015686 Da
  • ChemSpider ID30650351

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3S)-3-(Brommethyl)-3-ethyltetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-1,4(3H)-dion [German] [ACD/IUPAC Name]
(3S)-3-(Bromomethyl)-3-ethyltetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine-1,4(3H)-dione [ACD/IUPAC Name]
(3S)-3-(Bromométhyl)-3-éthyltétrahydro-1H-pyrrolo[2,1-c][1,4]oxazine-1,4(3H)-dione [French] [ACD/IUPAC Name]
1H-Pyrrolo[2,1-c][1,4]oxazine-1,4(3H)-dione, 3-(bromomethyl)-3-ethyltetrahydro-, (3S)- [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: 451.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 227.0±26.8 °C
Index of Refraction: 1.563
Molar Refractivity: 57.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.02
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.62
ACD/KOC (pH 5.5): 49.14
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.62
ACD/KOC (pH 7.4): 49.14
Polar Surface Area: 47 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 178.0±5.0 cm3

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