ChemSpider 2D Image | Dimethyl (1R,2S,3s)-3-bromo-3-(bromomethyl)-1,2-cyclopropanedicarboxylate | C8H10Br2O4

Dimethyl (1R,2S,3s)-3-bromo-3-(bromomethyl)-1,2-cyclopropanedicarboxylate

  • Molecular FormulaC8H10Br2O4
  • Average mass329.971 Da
  • Monoisotopic mass327.894562 Da
  • ChemSpider ID30813970

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2S,3s)-3-Bromo-3-(bromométhyl)-1,2-cyclopropanedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
1,2-Cyclopropanedicarboxylic acid, 3-bromo-3-(bromomethyl)-, dimethyl ester, (1α,2α,3β)- [ACD/Index Name]
Dimethyl (1R,2S,3s)-3-bromo-3-(bromomethyl)-1,2-cyclopropanedicarboxylate [ACD/IUPAC Name]
Dimethyl-(1R,2S,3s)-3-brom-3-(brommethyl)-1,2-cyclopropandicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 343.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.7±3.0 kJ/mol
Flash Point: 161.4±27.9 °C
Index of Refraction: 1.549
Molar Refractivity: 55.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.72
ACD/KOC (pH 5.5): 394.49
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.72
ACD/KOC (pH 7.4): 394.49
Polar Surface Area: 53 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 175.5±3.0 cm3

Click to predict properties on the Chemicalize site


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