ChemSpider 2D Image | tert-Butyl 3-(hydroxymethyl)-7-nitro-1H-indole-1-carboxylate | C14H16N2O5

tert-Butyl 3-(hydroxymethyl)-7-nitro-1H-indole-1-carboxylate

  • Molecular FormulaC14H16N2O5
  • Average mass292.287 Da
  • Monoisotopic mass292.105927 Da
  • ChemSpider ID21472461

More details:

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

1,1-Dimethylethyl 3-(hydroxymethyl)-7-nitro-1H-indole-1-carboxylate
1H-Indole-1-carboxylic acid, 3-(hydroxymethyl)-7-nitro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(hydroxymethyl)-7-nitro-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(hydroxymethyl)-7-nitro-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
3-(Hydroxyméthyl)-7-nitro-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
914349-15-8 [RN]
tert-Butyl 3-(hydroxymethyl)-7-nitro-1H-indole-1-carboxylate
[914349-15-8] [RN]
1-(1-Hydroxy-4-methoxy-2-naphthyl)ethanone [ACD/IUPAC Name]
1-Boc-3-Hydroxymethyl-7-nitroindole
More...

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

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 470.2±53.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.2±3.0 kJ/mol
    Flash Point: 238.1±30.9 °C
    Index of Refraction: 1.591
    Molar Refractivity: 74.7±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.41
    ACD/LogD (pH 5.5): 2.33
    ACD/BCF (pH 5.5): 34.56
    ACD/KOC (pH 5.5): 439.46
    ACD/LogD (pH 7.4): 2.33
    ACD/BCF (pH 7.4): 34.56
    ACD/KOC (pH 7.4): 439.46
    Polar Surface Area: 97 Å2
    Polarizability: 29.6±0.5 10-24cm3
    Surface Tension: 50.0±7.0 dyne/cm
    Molar Volume: 221.0±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement