ChemSpider 2D Image | (R)-climbazole | C15H17ClN2O2

(R)-climbazole

  • Molecular FormulaC15H17ClN2O2
  • Average mass292.761 Da
  • Monoisotopic mass292.097870 Da
  • ChemSpider ID32788342

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-1-(4-Chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl-2-butanone [ACD/IUPAC Name]
(1R)-1-(4-Chlorophénoxy)-1-(1H-imidazol-1-yl)-3,3-diméthyl-2-butanone [French] [ACD/IUPAC Name]
(1R)-1-(4-Chlorphenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl-2-butanon [German] [ACD/IUPAC Name]
(R)-climbazole
2-Butanone, 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl-, (1R)- [ACD/Index Name]
(1R)-1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one
253-775-4 [EINECS]
38083-17-9 [RN]
Climbazole [BAN] [INN] [Wiki]
CLIMBAZOLE, (R)-
More...

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

221OU01480 [DBID]
UNII:221OU01480 [DBID]
  • Miscellaneous

    • Chemical Class:

      The (<stereo>R</stereo>)-enantiomer of 1-(4-chlorophenoxy)-1-(1<element>H</element>-imidazol-1-yl)-3,3-dimethylbutan-2-one. ChEBI CHEBI:83720
      The (R)-enantiomer of 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one. ChEBI CHEBI:83720

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

Density: 1.2±0.1 g/cm3
Boiling Point: 447.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 224.4±27.3 °C
Index of Refraction: 1.561
Molar Refractivity: 80.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 82.33
ACD/KOC (pH 5.5): 635.66
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 196.41
ACD/KOC (pH 7.4): 1516.53
Polar Surface Area: 44 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 39.7±7.0 dyne/cm
Molar Volume: 248.4±7.0 cm3

Click to predict properties on the Chemicalize site


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