ChemSpider 2D Image | 2-(4-Fluorobenzyl)-2-nitro-1,3-propanediol | C10H12FNO4

2-(4-Fluorobenzyl)-2-nitro-1,3-propanediol

  • Molecular FormulaC10H12FNO4
  • Average mass229.205 Da
  • Monoisotopic mass229.075043 Da
  • ChemSpider ID26458731

More details:

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

1,3-Propanediol, 2-[(4-fluorophenyl)methyl]-2-nitro- [ACD/Index Name]
2-(4-Fluorbenzyl)-2-nitro-1,3-propandiol [German] [ACD/IUPAC Name]
2-(4-Fluorobenzyl)-2-nitro-1,3-propanediol [ACD/IUPAC Name]
2-(4-Fluorobenzyl)-2-nitro-1,3-propanediol [French] [ACD/IUPAC Name]
2-[(4-fluorophenyl)methyl]-2-nitropropane-1,3-diol
905569-32-6 [RN]
MFCD16089998 [MDL number]
SS-3152

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

Density: 1.4±0.1 g/cm3
Boiling Point: 441.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 221.0±28.7 °C
Index of Refraction: 1.560
Molar Refractivity: 54.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.14
ACD/KOC (pH 5.5): 127.53
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.14
ACD/KOC (pH 7.4): 127.53
Polar Surface Area: 86 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 167.3±3.0 cm3

Click to predict properties on the Chemicalize site


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