ChemSpider 2D Image | 5-(2-Aminoethyl)-3,4-difluoro-1,2-benzenediol | C8H9F2NO2

5-(2-Aminoethyl)-3,4-difluoro-1,2-benzenediol

  • Molecular FormulaC8H9F2NO2
  • Average mass189.159 Da
  • Monoisotopic mass189.060135 Da
  • ChemSpider ID60763067

More details:

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

1,2-Benzenediol, 5-(2-aminoethyl)-3,4-difluoro- [ACD/Index Name]
5-(2-Aminoethyl)-3,4-difluor-1,2-benzoldiol [German] [ACD/IUPAC Name]
5-(2-Aminoethyl)-3,4-difluoro-1,2-benzenediol [ACD/IUPAC Name]
5-(2-Aminoéthyl)-3,4-difluoro-1,2-benzènediol [French] [ACD/IUPAC Name]
1379306-76-9 [RN]
MFCD20718817

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

Density: 1.4±0.1 g/cm3
Boiling Point: 337.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 158.2±26.5 °C
Index of Refraction: 1.571
Molar Refractivity: 43.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.32
Polar Surface Area: 66 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 131.2±3.0 cm3

Click to predict properties on the Chemicalize site


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