ChemSpider 2D Image | Aminocyclopyrachlor | C8H8ClN3O2


  • Molecular FormulaC8H8ClN3O2
  • Average mass213.621 Da
  • Monoisotopic mass213.030502 Da
  • ChemSpider ID21442054

More details:

Featured data source

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

11329725 [Beilstein]
4-Pyrimidinecarboxylic acid, 6-amino-5-chloro-2-cyclopropyl- [ACD/Index Name]
6-Amino-5-chlor-2-cyclopropyl-4-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
6-Amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxylic acid
6-Amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylic acid [ACD/IUPAC Name]
858956-08-8 [RN]
Acide 6-amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
Aminocyclopyrachlor [BSI] [ISO] [Wiki]
aminocyclopyrachlore [French] [BSI] [ISO]
  • Miscellaneous
    • Chemical Class:

      An organochlorine herbicide, the structure of which is that of pyrimidine-4-carboxylic acid substituted at positions 2, 5 and 6 by cyclopropyl, chloro and amino groups respectively. ChEBI CHEBI:62952

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

Density: 1.6±0.1 g/cm3
Boiling Point: 432.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 215.3±28.7 °C
Index of Refraction: 1.701
Molar Refractivity: 50.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 93.0±3.0 dyne/cm
Molar Volume: 130.6±3.0 cm3

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