ChemSpider 2D Image | 1-BOC-6-methoxyindole-2-boronic acid | C14H18BNO5

1-BOC-6-methoxyindole-2-boronic acid

  • Molecular FormulaC14H18BNO5
  • Average mass291.107 Da
  • Monoisotopic mass291.127808 Da
  • ChemSpider ID20194094

More details:

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

(1-(tert-Butoxycarbonyl)-6-methoxy-1H-indol-2-yl)boronic acid
(6-Methoxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)boronic acid [ACD/IUPAC Name]
(6-Methoxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)borsäure [German] [ACD/IUPAC Name]
[1-(tert-Butoxycarbonyl)-6-methoxy-1H-indol-2-yl]boronic acid
1-(1,1-Dimethylethyl) 2-borono-6-methoxy-1H-indole-1-carboxylate
1-(tert-butoxycarbonyl)-6-methoxy-1H-indol-2-ylboronic acid
1-BOC-6-methoxyindole-2-boronic acid
1H-Indole-1-carboxylic acid, 2-borono-6-methoxy-, 1,1-dimethylethyl ester [ACD/Index Name]
850568-65-9 [RN]
Acide (6-méthoxy-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)boronique [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
TGR-1202 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 475.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 241.6±31.5 °C
Index of Refraction: 1.536
Molar Refractivity: 75.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 59.37
ACD/KOC (pH 5.5): 647.08
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 52.97
ACD/KOC (pH 7.4): 577.26
Polar Surface Area: 81 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 39.9±7.0 dyne/cm
Molar Volume: 243.5±7.0 cm3

Click to predict properties on the Chemicalize site


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