ChemSpider 2D Image | 2-{[(2-Amino-5-pyrimidinyl)methyl]amino}-4-chloro-5-nitrobenzamide | C12H11ClN6O3

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

  • Molecular FormulaC12H11ClN6O3
  • Average mass322.707 Da
  • Monoisotopic mass322.058105 Da
  • ChemSpider ID35034619

More details:






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

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 571.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.3±32.9 °C
Index of Refraction: 1.742
Molar Refractivity: 81.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 6.05
ACD/KOC (pH 5.5): 125.89
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.11
ACD/KOC (pH 7.4): 127.12
Polar Surface Area: 153 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 89.8±3.0 dyne/cm
Molar Volume: 200.8±3.0 cm3

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