ChemSpider 2D Image | (S)-nuarimol | C17H12ClFN2O

(S)-nuarimol

  • Molecular FormulaC17H12ClFN2O
  • Average mass314.741 Da
  • Monoisotopic mass314.062225 Da
  • ChemSpider ID34448835
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(S)-(2-Chlorophenyl)(4-fluorophenyl)5-pyrimidinylmethanol [ACD/IUPAC Name]
(S)-(2-Chlorophényl)(4-fluorophényl)5-pyrimidinylméthanol [French] [ACD/IUPAC Name]
(S)-(2-Chlorphenyl)(4-fluorphenyl)5-pyrimidinylmethanol [German] [ACD/IUPAC Name]
(S)-nuarimol
244094-42-6 [RN]
5-Pyrimidinemethanol, α-(2-chlorophenyl)-α-(4-fluorophenyl)-, (αS)- [ACD/Index Name]
(S)-(2-chlorophenyl)(4-fluorophenyl)pyrimidin-5-ylmethanol
264-071-1 [EINECS]
63284-71-9 [RN]
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83694
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

FWV25YWG9W [DBID]
UNII:FWV25YWG9W [DBID]
UNII-FWV25YWG9W [DBID]
  • Miscellaneous
    • Chemical Class:

      A (2-chlorophenyl)(4-fluorophenyl)pyrimidin-5-ylmethanol that has <stereo>S</stereo> configuration. ChEBI CHEBI:83694

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

Density: 1.4±0.1 g/cm3
Boiling Point: 475.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 241.2±27.3 °C
Index of Refraction: 1.623
Molar Refractivity: 82.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.43
ACD/KOC (pH 5.5): 542.88
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.42
ACD/KOC (pH 7.4): 542.80
Polar Surface Area: 46 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 232.9±3.0 cm3

Click to predict properties on the Chemicalize site






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