ChemSpider 2D Image | [3-(5-Chloro-5-oxo-1-pentyn-1-yl)-5-(hydrazinocarbonyl)phenyl]boronic acid | C12H12BClN2O4

[3-(5-Chloro-5-oxo-1-pentyn-1-yl)-5-(hydrazinocarbonyl)phenyl]boronic acid

  • Molecular FormulaC12H12BClN2O4
  • Average mass294.499 Da
  • Monoisotopic mass294.057861 Da
  • ChemSpider ID98877281

More details:

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

[3-(5-Chlor-5-oxo-1-pentin-1-yl)-5-(hydrazinocarbonyl)phenyl]borsäure [German] [ACD/IUPAC Name]
[3-(5-Chloro-5-oxo-1-pentyn-1-yl)-5-(hydrazinocarbonyl)phenyl]boronic acid [ACD/IUPAC Name]
Acide [3-(5-chloro-5-oxo-1-pentyn-1-yl)-5-(hydrazinocarbonyl)phényl]boronique [French] [ACD/IUPAC Name]
Benzoic acid, 3-borono-5-(5-chloro-5-oxo-1-pentyn-1-yl)-, hydrazide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 71.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.52
ACD/KOC (pH 5.5): 67.17
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 29.29
Polar Surface Area: 113 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 70.2±5.0 dyne/cm
Molar Volume: 204.9±5.0 cm3

Click to predict properties on the Chemicalize site


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