ChemSpider 2D Image | (S)-cloranolol | C13H19Cl2NO2

(S)-cloranolol

  • Molecular FormulaC13H19Cl2NO2
  • Average mass292.202 Da
  • Monoisotopic mass291.079285 Da
  • ChemSpider ID32809533
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-1-(2,5-Dichlorophenoxy)-3-[(2-methyl-2-propanyl)amino]-2-propanol [ACD/IUPAC Name]
(2S)-1-(2,5-Dichlorophénoxy)-3-[(2-méthyl-2-propanyl)amino]-2-propanol [French] [ACD/IUPAC Name]
(2S)-1-(2,5-Dichlorphenoxy)-3-[(2-methyl-2-propanyl)amino]-2-propanol [German] [ACD/IUPAC Name]
(S)-cloranolol
2-Propanol, 1-(2,5-dichlorophenoxy)-3-[(1,1-dimethylethyl)amino]-, (2S)- [ACD/Index Name]
46908-39-8 [RN]
39563-28-5 [RN]
cloranolol [INN]
CLORANOLOL, (S)-
UNII-Q3U058H86V

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

9MSK58700R [DBID]
UNII:9MSK58700R [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 408.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 200.7±28.7 °C
Index of Refraction: 1.534
Molar Refractivity: 75.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.90
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 4.93
ACD/KOC (pH 7.4): 35.44
Polar Surface Area: 41 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 243.1±3.0 cm3

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