ChemSpider 2D Image | 5-Amino-6-chloro-3-(1H-tetrazol-5-ylmethyl)-4(3H)-pyrimidinone | C6H6ClN7O

5-Amino-6-chloro-3-(1H-tetrazol-5-ylmethyl)-4(3H)-pyrimidinone

  • Molecular FormulaC6H6ClN7O
  • Average mass227.611 Da
  • Monoisotopic mass227.032242 Da
  • ChemSpider ID110488422

More details:

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

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

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

Density: 2.1±0.1 g/cm3
Boiling Point: 418.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 207.1±31.5 °C
Index of Refraction: 1.914
Molar Refractivity: 51.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.19
ACD/LogD (pH 5.5): -2.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 104.0±7.0 dyne/cm
Molar Volume: 109.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement