Found 259 results

Search term: MF = 'C_{14}H_{9}BClN_{3}O_{2}'
ChemSpider 2D Image | {7-[(2-Chloro-5-pyrimidinyl)ethynyl]-1H-indol-2-yl}boronic acid | C14H9BClN3O2

{7-[(2-Chloro-5-pyrimidinyl)ethynyl]-1H-indol-2-yl}boronic acid

  • Molecular FormulaC14H9BClN3O2
  • Average mass297.504 Da
  • Monoisotopic mass297.047638 Da
  • ChemSpider ID88319069

More details:

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

{7-[(2-Chlor-5-pyrimidinyl)ethinyl]-1H-indol-2-yl}borsäure [German] [ACD/IUPAC Name]
{7-[(2-Chloro-5-pyrimidinyl)ethynyl]-1H-indol-2-yl}boronic acid [ACD/IUPAC Name]
Acide {7-[(2-chloro-5-pyrimidinyl)éthynyl]-1H-indol-2-yl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[7-[2-(2-chloro-5-pyrimidinyl)ethynyl]-1H-indol-2-yl]- [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: 669.5±63.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 358.7±33.7 °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: 2.22
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.53
ACD/KOC (pH 5.5): 392.65
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.37
ACD/KOC (pH 7.4): 390.59
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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