ChemSpider 2D Image | (2-Methyl-2H-benzotriazol-5-yl)boronic acid | C7H8BN3O2

(2-Methyl-2H-benzotriazol-5-yl)boronic acid

  • Molecular FormulaC7H8BN3O2
  • Average mass176.968 Da
  • Monoisotopic mass177.070953 Da
  • ChemSpider ID115290153

More details:

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

(2-Methyl-2H-benzotriazol-5-yl)boronic acid [ACD/IUPAC Name]
(2-Methyl-2H-benzotriazol-5-yl)borsäure [German] [ACD/IUPAC Name]
Acide (2-méthyl-2H-benzotriazol-5-yl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-(2-methyl-2H-1,2,3-benzotriazol-5-yl)- [ACD/Index Name]
(2-methyl-2H-1,2,3-benzotriazol-5-yl)boronic acid
(2-Methyl-2H-benzo[d][1,2,3]triazol-5-yl)boronic acid
191230-42-9 [RN]
2-methyl-1,2,3-benzotriazol-5-ylboronic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 423.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 210.2±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 46.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 2.46
ACD/KOC (pH 5.5): 63.03
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.65
Polar Surface Area: 71 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 127.1±7.0 cm3

Click to predict properties on the Chemicalize site


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