ChemSpider 2D Image | 5-[3-(2,5-Dichloro-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-nitro-1,2-benzenediol | C15H10Cl2N4O5

5-[3-(2,5-Dichloro-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-nitro-1,2-benzenediol

  • Molecular FormulaC15H10Cl2N4O5
  • Average mass397.170 Da
  • Monoisotopic mass396.002838 Da
  • ChemSpider ID58798348

More details:

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

1,2-Benzenediol, 5-[3-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-nitro- [ACD/Index Name]
5-[3-(2,5-Dichlor-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-nitro-1,2-benzoldiol [German] [ACD/IUPAC Name]
5-[3-(2,5-Dichloro-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-nitro-1,2-benzenediol [ACD/IUPAC Name]
5-[3-(2,5-Dichloro-4,6-diméthyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-nitro-1,2-benzènediol [French] [ACD/IUPAC Name]
1,2-Benzenediol,5-[3-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-nitro-
952091-17-7 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 593.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 312.9±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 91.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 300.40
ACD/KOC (pH 5.5): 1380.14
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 5.83
ACD/KOC (pH 7.4): 26.77
Polar Surface Area: 138 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 72.7±3.0 dyne/cm
Molar Volume: 247.6±3.0 cm3

Click to predict properties on the Chemicalize site


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