Found 1 result

Search term: NC(=O)c1cc(c(Cl)cc1NCc1cnc(Cl)nc1)[N+]([O-])=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 4-Chloro-2-{[(2-chloro-5-pyrimidinyl)methyl]amino}-5-nitrobenzamide | C12H9Cl2N5O3

4-Chloro-2-{[(2-chloro-5-pyrimidinyl)methyl]amino}-5-nitrobenzamide

  • Molecular FormulaC12H9Cl2N5O3
  • Average mass342.138 Da
  • Monoisotopic mass341.008240 Da
  • ChemSpider ID35034615

More details:

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

4-Chlor-2-{[(2-chlor-5-pyrimidinyl)methyl]amino}-5-nitrobenzamid [German] [ACD/IUPAC Name]
4-Chloro-2-{[(2-chloro-5-pyrimidinyl)methyl]amino}-5-nitrobenzamide [ACD/IUPAC Name]
4-Chloro-2-{[(2-chloro-5-pyrimidinyl)méthyl]amino}-5-nitrobenzamide [French] [ACD/IUPAC Name]
4-chloro-2-{[(2-chloropyrimidin-5-yl)methyl]amino}-5-nitrobenzamide
Benzamide, 4-chloro-2-[[(2-chloro-5-pyrimidinyl)methyl]amino]-5-nitro- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 542.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.0±30.1 °C
Index of Refraction: 1.705
Molar Refractivity: 81.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.47
ACD/KOC (pH 5.5): 438.68
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.47
ACD/KOC (pH 7.4): 438.68
Polar Surface Area: 127 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 79.4±3.0 dyne/cm
Molar Volume: 210.5±3.0 cm3

Click to predict properties on the Chemicalize site


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