ChemSpider 2D Image | (1-Methyl-1H-benzotriazol-6-yl)boronic acid | C7H8BN3O2

(1-Methyl-1H-benzotriazol-6-yl)boronic acid

  • Molecular FormulaC7H8BN3O2
  • Average mass176.968 Da
  • Monoisotopic mass177.070953 Da
  • ChemSpider ID60970796

More details:

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

(1-Methyl-1H-benzotriazol-6-yl)boronic acid [ACD/IUPAC Name]
(1-Methyl-1H-benzotriazol-6-yl)borsäure [German] [ACD/IUPAC Name]
Acide (1-méthyl-1H-benzotriazol-6-yl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-(1-methyl-1H-1,2,3-benzotriazol-6-yl)- [ACD/Index Name]
(1-methyl-1H-1,2,3-benzotriazol-6-yl)boronic acid
(1-Methyl-1H-benzo[d][1,2,3]triazol-6-yl)boronic acid
1443986-68-2 [RN]
3-methyl-1,2,3-benzotriazol-5-ylboronic acid
MFCD26517685

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

Density: 1.4±0.1 g/cm3
Boiling Point: 445.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 223.4±26.5 °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: 0.43
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.64
ACD/KOC (pH 5.5): 49.29
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.14
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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