Found 257 results

Search term: MF = 'C_{14}H_{17}BFNO_{4}'
ChemSpider 2D Image | {2-Fluoro-4-(methoxycarbonyl)-5-[3-methyl-3-(methylamino)-1-butyn-1-yl]phenyl}boronic acid | C14H17BFNO4

{2-Fluoro-4-(methoxycarbonyl)-5-[3-methyl-3-(methylamino)-1-butyn-1-yl]phenyl}boronic acid

  • Molecular FormulaC14H17BFNO4
  • Average mass293.099 Da
  • Monoisotopic mass293.123474 Da
  • ChemSpider ID81636237

More details:

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

{2-Fluor-4-(methoxycarbonyl)-5-[3-methyl-3-(methylamino)-1-butin-1-yl]phenyl}borsäure [German] [ACD/IUPAC Name]
{2-Fluoro-4-(methoxycarbonyl)-5-[3-methyl-3-(methylamino)-1-butyn-1-yl]phenyl}boronic acid [ACD/IUPAC Name]
Acide {2-fluoro-4-(méthoxycarbonyl)-5-[3-méthyl-3-(méthylamino)-1-butyn-1-yl]phényl}boronique [French] [ACD/IUPAC Name]
Benzoic acid, 4-borono-5-fluoro-2-[3-methyl-3-(methylamino)-1-butyn-1-yl]-, methyl ester [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: 463.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 233.9±31.5 °C
Index of Refraction: 1.538
Molar Refractivity: 74.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.47
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 6.29
ACD/KOC (pH 7.4): 70.22
Polar Surface Area: 79 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 236.6±5.0 cm3

Click to predict properties on the Chemicalize site


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