Found 259 results

Search term: MF = 'C_{14}H_{9}BClN_{3}O_{2}'
ChemSpider 2D Image | {4-[(6-Chloro-2H-benzotriazol-4-yl)ethynyl]phenyl}boronic acid | C14H9BClN3O2

{4-[(6-Chloro-2H-benzotriazol-4-yl)ethynyl]phenyl}boronic acid

  • Molecular FormulaC14H9BClN3O2
  • Average mass297.504 Da
  • Monoisotopic mass297.047638 Da
  • ChemSpider ID92732417

More details:

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

{4-[(6-Chlor-2H-benzotriazol-4-yl)ethinyl]phenyl}borsäure [German] [ACD/IUPAC Name]
{4-[(6-Chloro-2H-benzotriazol-4-yl)ethynyl]phenyl}boronic acid [ACD/IUPAC Name]
Acide {4-[(6-chloro-2H-benzotriazol-4-yl)éthynyl]phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-[2-(6-chloro-2H-1,2,3-benzotriazol-4-yl)ethynyl]phenyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 589.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 310.3±32.9 °C
Index of Refraction: 1.732
Molar Refractivity: 77.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 237.33
ACD/KOC (pH 5.5): 1734.07
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 81.28
ACD/KOC (pH 7.4): 593.92
Polar Surface Area: 82 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 90.7±5.0 dyne/cm
Molar Volume: 193.0±5.0 cm3

Click to predict properties on the Chemicalize site


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