Found 257 results

Search term: MF = 'C_{14}H_{17}BFNO_{4}'
ChemSpider 2D Image | [5-Fluoro-2-formyl-3-methyl-1-(3-oxetanyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]boronic acid | C14H17BFNO4

[5-Fluoro-2-formyl-3-methyl-1-(3-oxetanyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]boronic acid

  • Molecular FormulaC14H17BFNO4
  • Average mass293.099 Da
  • Monoisotopic mass293.123474 Da
  • ChemSpider ID81685011

More details:

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

[5-Fluor-2-formyl-3-methyl-1-(3-oxetanyl)-1,2,3,4-tetrahydro-7-isochinolinyl]borsäure [German] [ACD/IUPAC Name]
[5-Fluoro-2-formyl-3-methyl-1-(3-oxetanyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]boronic acid [ACD/IUPAC Name]
Acide [5-fluoro-2-formyl-3-méthyl-1-(3-oxétanyl)-1,2,3,4-tétrahydro-7-isoquinoléinyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[5-fluoro-2-formyl-1,2,3,4-tetrahydro-3-methyl-1-(3-oxetanyl)-7-isoquinolinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 506.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 260.0±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 72.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.14
ACD/KOC (pH 5.5): 95.89
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.05
ACD/KOC (pH 7.4): 47.42
Polar Surface Area: 70 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 216.1±5.0 cm3

Click to predict properties on the Chemicalize site


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