Found 1 result

Search term: NC(=O)c1cc(c(Cl)cc1NCc1cncnc1)[N+]([O-])=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 4-Chloro-5-nitro-2-[(5-pyrimidinylmethyl)amino]benzamide | C12H10ClN5O3

4-Chloro-5-nitro-2-[(5-pyrimidinylmethyl)amino]benzamide

  • Molecular FormulaC12H10ClN5O3
  • Average mass307.693 Da
  • Monoisotopic mass307.047211 Da
  • ChemSpider ID35034622

More details:

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

4-Chlor-5-nitro-2-[(5-pyrimidinylmethyl)amino]benzamid [German] [ACD/IUPAC Name]
4-Chloro-5-nitro-2-[(5-pyrimidinylmethyl)amino]benzamide [ACD/IUPAC Name]
4-Chloro-5-nitro-2-[(5-pyrimidinylméthyl)amino]benzamide [French] [ACD/IUPAC Name]
4-chloro-5-nitro-2-[(pyrimidin-5-ylmethyl)amino]benzamide
Benzamide, 4-chloro-5-nitro-2-[(5-pyrimidinylmethyl)amino]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 485.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 247.5±28.7 °C
Index of Refraction: 1.702
Molar Refractivity: 76.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.26
ACD/KOC (pH 5.5): 171.13
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.26
ACD/KOC (pH 7.4): 171.16
Polar Surface Area: 127 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 79.3±3.0 dyne/cm
Molar Volume: 198.5±3.0 cm3

Click to predict properties on the Chemicalize site


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