ChemSpider 2D Image | 3-Butoxy-6-chloro-2-fluorobenzoic acid | C11H12ClFO3

3-Butoxy-6-chloro-2-fluorobenzoic acid

  • Molecular FormulaC11H12ClFO3
  • Average mass246.663 Da
  • Monoisotopic mass246.045898 Da
  • ChemSpider ID30697245

More details:

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

3-Butoxy-6-chlor-2-fluorbenzoesäure [German] [ACD/IUPAC Name]
3-Butoxy-6-chloro-2-fluorobenzoic acid [ACD/IUPAC Name]
Acide 3-butoxy-6-chloro-2-fluorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-butoxy-6-chloro-2-fluoro- [ACD/Index Name]
QVR BG FF EO4 [WLN]
1706435-00-8 [RN]
JS-5128
MFCD27986836 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 351.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 166.1±26.5 °C
Index of Refraction: 1.524
Molar Refractivity: 58.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.68
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.30
Polar Surface Area: 47 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 191.6±3.0 cm3

Click to predict properties on the Chemicalize site


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