ChemSpider 2D Image | (3-(Cyanomethyl)-5-fluorophenyl)boronic acid | C8H7BFNO2

(3-(Cyanomethyl)-5-fluorophenyl)boronic acid

  • Molecular FormulaC8H7BFNO2
  • Average mass178.956 Da
  • Monoisotopic mass179.055389 Da
  • ChemSpider ID57421617

More details:

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

(3-(Cyanomethyl)-5-fluorophenyl)boronic acid
[3-(Cyanmethyl)-5-fluorphenyl]borsäure [German] [ACD/IUPAC Name]
[3-(Cyanomethyl)-5-fluorophenyl]boronic acid [ACD/IUPAC Name]
1460307-63-4 [RN]
Acide [3-(cyanométhyl)-5-fluorophényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-(cyanomethyl)-5-fluorophenyl]- [ACD/Index Name]
3-(Cyanomethyl)-5-fluorobenzeneboronic acid
3-(CYANOMETHYL)-5-FLUOROPHENYLBORONIC ACID
MFCD27935531
PS-9769

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

Density: 1.3±0.1 g/cm3
Boiling Point: 388.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 188.5±30.7 °C
Index of Refraction: 1.528
Molar Refractivity: 42.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.76
ACD/KOC (pH 5.5): 89.06
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.20
ACD/KOC (pH 7.4): 28.33
Polar Surface Area: 64 Å2
Polarizability: 16.9±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 138.3±5.0 cm3

Click to predict properties on the Chemicalize site


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