ChemSpider 2D Image | (5E)-13-Chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-2-benzazacyclotetradecine-1,11(2H,12H)-dione | C17H20ClNO4

(5E)-13-Chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-2-benzazacyclotetradecine-1,11(2H,12H)-dione

  • Molecular FormulaC17H20ClNO4
  • Average mass337.798 Da
  • Monoisotopic mass337.108093 Da
  • ChemSpider ID26325317
  • Double-bond stereo - Double-bond stereo


More details:






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

(5E)-13-Chlor-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-2-benzazacyclotetradecin-1,11(2H,12H)-dion [German] [ACD/IUPAC Name]
(5E)-13-Chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-2-benzazacyclotetradecine-1,11(2H,12H)-dione [ACD/IUPAC Name]
(5E)-13-Chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-2-benzazacyclotétradécine-1,11(2H,12H)-dione [French] [ACD/IUPAC Name]
2-Benzazacyclotetradecine-1,11(2H,12H)-dione, 13-chloro-3,4,7,8,9,10-hexahydro-14,16-dihydroxy-, (5E)- [ACD/Index Name]
13C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 641.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 342.0±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 87.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 302.44
ACD/KOC (pH 5.5): 2014.60
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 30.68
ACD/KOC (pH 7.4): 204.35
Polar Surface Area: 87 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 269.3±3.0 cm3

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