Found 3 results

Search term: HMHURBVMAYTKBB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S)-1-(3-Chloro-2-fluorophenyl)-1-propanol | C9H10ClFO

(1S)-1-(3-Chloro-2-fluorophenyl)-1-propanol

  • Molecular FormulaC9H10ClFO
  • Average mass188.626 Da
  • Monoisotopic mass188.040421 Da
  • ChemSpider ID41240252

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-(3-Chlor-2-fluorphenyl)-1-propanol [German] [ACD/IUPAC Name]
(1S)-1-(3-Chloro-2-fluorophenyl)-1-propanol [ACD/IUPAC Name]
(1S)-1-(3-Chloro-2-fluorophényl)-1-propanol [French] [ACD/IUPAC Name]
Benzenemethanol, 3-chloro-α-ethyl-2-fluoro-, (αS)- [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: 245.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 51.0±3.0 kJ/mol
Flash Point: 102.3±23.2 °C
Index of Refraction: 1.524
Molar Refractivity: 46.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.11
ACD/KOC (pH 5.5): 573.39
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.11
ACD/KOC (pH 7.4): 573.39
Polar Surface Area: 20 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 153.2±3.0 cm3

Click to predict properties on the Chemicalize site


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