Found 3 results

Search term: QWFNXMXFYSCBQN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3S)-3-[(1S)-1-Nitroethyl]-1-isoindolinone | C10H10N2O3

(3S)-3-[(1S)-1-Nitroethyl]-1-isoindolinone

  • Molecular FormulaC10H10N2O3
  • Average mass206.198 Da
  • Monoisotopic mass206.069138 Da
  • ChemSpider ID110610586

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-3-[(1S)-1-Nitroethyl]-1-isoindolinon [German] [ACD/IUPAC Name]
(3S)-3-[(1S)-1-Nitroethyl]-1-isoindolinone [ACD/IUPAC Name]
(3S)-3-[(1S)-1-Nitroéthyl]-1-isoindolinone [French] [ACD/IUPAC Name]
1H-Isoindol-1-one, 2,3-dihydro-3-[(1S)-1-nitroethyl]-, (3S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 457.4±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 230.4±25.7 °C
Index of Refraction: 1.573
Molar Refractivity: 52.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.27
ACD/KOC (pH 5.5): 61.24
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.00
Polar Surface Area: 75 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 159.4±3.0 cm3

Click to predict properties on the Chemicalize site


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