ChemSpider 2D Image | 2-[(5-Chloro-6-oxo-1,6-dihydro-4-pyrimidinyl)oxy]-6-nitrobenzoic acid | C11H6ClN3O6

2-[(5-Chloro-6-oxo-1,6-dihydro-4-pyrimidinyl)oxy]-6-nitrobenzoic acid

  • Molecular FormulaC11H6ClN3O6
  • Average mass311.635 Da
  • Monoisotopic mass310.994507 Da
  • ChemSpider ID55239272

More details:

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

2-[(5-Chlor-6-oxo-1,6-dihydro-4-pyrimidinyl)oxy]-6-nitrobenzoesäure [German] [ACD/IUPAC Name]
2-[(5-Chloro-6-oxo-1,6-dihydro-4-pyrimidinyl)oxy]-6-nitrobenzoic acid [ACD/IUPAC Name]
Acide 2-[(5-chloro-6-oxo-1,6-dihydro-4-pyrimidinyl)oxy]-6-nitrobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(5-chloro-1,6-dihydro-6-oxo-4-pyrimidinyl)oxy]-6-nitro- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.710
Molar Refractivity: 68.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): -2.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 77.4±7.0 dyne/cm
Molar Volume: 175.2±7.0 cm3

Click to predict properties on the Chemicalize site


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