ChemSpider 2D Image | (3,4-Dihydroxy-5-nitrophenyl)[4-(~2~H_3_)methyl(~2~H_4_)phenyl]methanone | C14H4D7NO5

(3,4-Dihydroxy-5-nitrophenyl)[4-(2H3)methyl(2H4)phenyl]methanone

  • Molecular FormulaC14H4D7NO5
  • Average mass280.284 Da
  • Monoisotopic mass280.107666 Da
  • ChemSpider ID103835585

  • Non-standard isotope - Non-standard isotope

More details:

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

(3,4-Dihydroxy-5-nitrophenyl)[4-(2H3)methyl(2H4)phenyl]methanon [German] [ACD/IUPAC Name]
(3,4-Dihydroxy-5-nitrophenyl)[4-(2H3)methyl(2H4)phenyl]methanone [ACD/IUPAC Name]
(3,4-Dihydroxy-5-nitrophényl)[4-(2H3)méthyl(2H4)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, (3,4-dihydroxy-5-nitrophenyl)[4-(methyl-d3)phenyl-2,3,5,6-d4]- [ACD/Index Name]
(3,4-dihydroxy-5-nitrophenyl)-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]methanone
T13181
tolcapone d7

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

Density: 1.4±0.1 g/cm3
Boiling Point: 485.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 205.7±17.2 °C
Index of Refraction: 1.661
Molar Refractivity: 71.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 71.44
ACD/KOC (pH 5.5): 511.85
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 1.41
ACD/KOC (pH 7.4): 10.13
Polar Surface Area: 103 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 192.5±3.0 cm3

Click to predict properties on the Chemicalize site


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