ChemSpider 2D Image | 3-(~2~H_3_)Methyl-4-nitro(~2~H_3_)phenol | C7HD6NO3

3-(2H3)Methyl-4-nitro(2H3)phenol

  • Molecular FormulaC7HD6NO3
  • Average mass159.172 Da
  • Monoisotopic mass159.080261 Da
  • ChemSpider ID24532741

  • Non-standard isotope - Non-standard isotope

More details:

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

1219803-89-0 [RN]
3-(2H3)Methyl-4-nitro(2H3)phenol [ACD/IUPAC Name]
3-(2H3)Methyl-4-nitro(2H3)phenol [German] [ACD/IUPAC Name]
3-(2H3)Méthyl-4-nitro(2H3)phénol [French] [ACD/IUPAC Name]
Phenol-2,3,6-d3, 5-(methyl-d3)-4-nitro- [ACD/Index Name]
3-Methyl-d3-4-nitrophenol-2,5,6-d3
4-Nitro-m-cresol
5-Hydroxy-2-nitrotoluene

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

Density: 1.3±0.1 g/cm3
Boiling Point: 304.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.7±3.0 kJ/mol
Flash Point: 140.0±13.0 °C
Index of Refraction: 1.597
Molar Refractivity: 39.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 23.13
ACD/KOC (pH 5.5): 328.46
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 11.53
ACD/KOC (pH 7.4): 163.77
Polar Surface Area: 66 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 116.0±3.0 cm3

Click to predict properties on the Chemicalize site


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