Found 166 results

Search term: MF = 'C_{9}H_{8}ClN_{3}O_{4}'
ChemSpider 2D Image | 3-(2-Chloro-5-nitro-4-pyrimidinyl)-2,4-pentanedione | C9H8ClN3O4

3-(2-Chloro-5-nitro-4-pyrimidinyl)-2,4-pentanedione

  • Molecular FormulaC9H8ClN3O4
  • Average mass257.630 Da
  • Monoisotopic mass257.020325 Da
  • ChemSpider ID28714055

More details:

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

2,4-Pentanedione, 3-(2-chloro-5-nitro-4-pyrimidinyl)- [ACD/Index Name]
3-(2-Chlor-5-nitro-4-pyrimidinyl)-2,4-pentandion [German] [ACD/IUPAC Name]
3-(2-Chloro-5-nitro-4-pyrimidinyl)-2,4-pentanedione [ACD/IUPAC Name]
3-(2-Chloro-5-nitro-4-pyrimidinyl)-2,4-pentanedione [French] [ACD/IUPAC Name]
3-(2-Chloro-5-nitropyrimidin-4-yl)pentane-2,4-dione
97821-68-6 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 464.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 234.6±27.3 °C
Index of Refraction: 1.562
Molar Refractivity: 57.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.20
ACD/LogD (pH 7.4): -1.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 177.0±3.0 cm3

Click to predict properties on the Chemicalize site


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