ChemSpider 2D Image | (4-{Cyclopropyl[2-(4-fluorophenyl)ethyl]carbamoyl}phenyl)boronic acid | C18H19BFNO3

(4-{Cyclopropyl[2-(4-fluorophenyl)ethyl]carbamoyl}phenyl)boronic acid

  • Molecular FormulaC18H19BFNO3
  • Average mass327.158 Da
  • Monoisotopic mass327.144196 Da
  • ChemSpider ID72892643

More details:

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

(4-{Cyclopropyl[2-(4-fluorophenyl)ethyl]carbamoyl}phenyl)boronic acid [ACD/IUPAC Name]
(4-{Cyclopropyl[2-(4-fluorphenyl)ethyl]carbamoyl}phenyl)borsäure [German] [ACD/IUPAC Name]
Acide (4-{cyclopropyl[2-(4-fluorophényl)éthyl]carbamoyl}phényl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-[[cyclopropyl[2-(4-fluorophenyl)ethyl]amino]carbonyl]phenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 557.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 290.7±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 87.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 79.34
ACD/KOC (pH 5.5): 796.16
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 68.08
ACD/KOC (pH 7.4): 683.18
Polar Surface Area: 61 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 254.6±5.0 cm3

Click to predict properties on the Chemicalize site


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