ChemSpider 2D Image | Benzyl [(2R)-4-chloro-3-oxo-1-phenyl-2-butanyl]carbamate | C18H18ClNO3

Benzyl [(2R)-4-chloro-3-oxo-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC18H18ClNO3
  • Average mass331.793 Da
  • Monoisotopic mass331.097534 Da
  • ChemSpider ID96437910

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2R)-4-Chloro-3-oxo-1-phényl-2-butanyl]carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [(2R)-4-chloro-3-oxo-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
Benzyl-[(2R)-4-chlor-3-oxo-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, phenylmethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 503.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 258.1±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 89.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 387.14
ACD/KOC (pH 5.5): 2477.43
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 386.97
ACD/KOC (pH 7.4): 2476.31
Polar Surface Area: 55 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 270.2±3.0 cm3

Click to predict properties on the Chemicalize site


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