ChemSpider 2D Image | 5-Chloro-6-[(1H-tetrazol-5-ylmethyl)amino]-4(3H)-pyrimidinone | C6H6ClN7O

5-Chloro-6-[(1H-tetrazol-5-ylmethyl)amino]-4(3H)-pyrimidinone

  • Molecular FormulaC6H6ClN7O
  • Average mass227.611 Da
  • Monoisotopic mass227.032242 Da
  • ChemSpider ID43992095

More details:

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

4(3H)-Pyrimidinone, 5-chloro-6-[(1H-tetrazol-5-ylmethyl)amino]- [ACD/Index Name]
5-Chlor-6-[(1H-tetrazol-5-ylmethyl)amino]-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
5-Chloro-6-[(1H-tetrazol-5-ylmethyl)amino]-4(3H)-pyrimidinone [ACD/IUPAC Name]
5-Chloro-6-[(1H-tétrazol-5-ylméthyl)amino]-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.898
Molar Refractivity: 51.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.78
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 95.3±7.0 dyne/cm
Molar Volume: 111.8±7.0 cm3

Click to predict properties on the Chemicalize site


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