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Search term: GHPMMOZCELBLBE (Found by InChIKey (skeleton match))

ChemSpider 2D Image | N-(2-Fluoro-5-methoxy-4-nitrophenyl)-1,2-ethanediamine | C9H12FN3O3

N-(2-Fluoro-5-methoxy-4-nitrophenyl)-1,2-ethanediamine

  • Molecular FormulaC9H12FN3O3
  • Average mass229.208 Da
  • Monoisotopic mass229.086273 Da
  • ChemSpider ID55157985

More details:






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

1,2-Ethanediamine, N1-(2-fluoro-5-methoxy-4-nitrophenyl)- [ACD/Index Name]
N-(2-Fluor-5-methoxy-4-nitrophenyl)-1,2-ethandiamin [German] [ACD/IUPAC Name]
N-(2-Fluoro-5-methoxy-4-nitrophenyl)-1,2-ethanediamine [ACD/IUPAC Name]
N-(2-Fluoro-5-méthoxy-4-nitrophényl)-1,2-éthanediamine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 422.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 209.2±28.7 °C
Index of Refraction: 1.592
Molar Refractivity: 57.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): -2.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.95
Polar Surface Area: 93 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 169.1±3.0 cm3

Click to predict properties on the Chemicalize site






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