Found 88 results

Search term: MF = 'C_{13}H_{11}ClN_{4}O_{5}'
ChemSpider 2D Image | Methyl {3-[(4-chloro-2-nitrobenzoyl)amino]-1H-pyrazol-1-yl}acetate | C13H11ClN4O5

Methyl {3-[(4-chloro-2-nitrobenzoyl)amino]-1H-pyrazol-1-yl}acetate

  • Molecular FormulaC13H11ClN4O5
  • Average mass338.703 Da
  • Monoisotopic mass338.041809 Da
  • ChemSpider ID30308450

More details:

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

{3-[(4-Chloro-2-nitrobenzoyl)amino]-1H-pyrazol-1-yl}acétate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-1-acetic acid, 3-[(4-chloro-2-nitrobenzoyl)amino]-, methyl ester [ACD/Index Name]
Methyl {3-[(4-chloro-2-nitrobenzoyl)amino]-1H-pyrazol-1-yl}acetate [ACD/IUPAC Name]
Methyl-{3-[(4-chlor-2-nitrobenzoyl)amino]-1H-pyrazol-1-yl}acetat [German] [ACD/IUPAC Name]
METHYL 2-[3-(4-CHLORO-2-NITROBENZAMIDO)-1H-PYRAZOL-1-YL]ACETATE
METHYL 2-[3-(4-CHLORO-2-NITROBENZAMIDO)PYRAZOL-1-YL]ACETATE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 452.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 227.7±28.7 °C
Index of Refraction: 1.654
Molar Refractivity: 80.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.20
ACD/KOC (pH 5.5): 288.54
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.20
ACD/KOC (pH 7.4): 288.47
Polar Surface Area: 119 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 220.0±7.0 cm3

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