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Search term: QCLZQGFRNIYAKR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S)-2-(2-Chlorocyclopropyl)-2-hydroxyethyl 4-bromobenzoate | C12H12BrClO3

(2S)-2-(2-Chlorocyclopropyl)-2-hydroxyethyl 4-bromobenzoate

  • Molecular FormulaC12H12BrClO3
  • Average mass319.579 Da
  • Monoisotopic mass317.965820 Da
  • ChemSpider ID30650027

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2S)-2-(2-Chlorcyclopropyl)-2-hydroxyethyl-4-brombenzoat [German] [ACD/IUPAC Name]
(2S)-2-(2-Chlorocyclopropyl)-2-hydroxyethyl 4-bromobenzoate [ACD/IUPAC Name]
4-Bromobenzoate de (2S)-2-(2-chlorocyclopropyl)-2-hydroxyéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-bromo-, (2S)-2-(2-chlorocyclopropyl)-2-hydroxyethyl ester [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: 447.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 224.6±23.2 °C
Index of Refraction: 1.611
Molar Refractivity: 68.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 74.90
ACD/KOC (pH 5.5): 764.49
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 74.90
ACD/KOC (pH 7.4): 764.48
Polar Surface Area: 47 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 197.1±5.0 cm3

Click to predict properties on the Chemicalize site


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