ChemSpider 2D Image | 5-(5-Bromo-2-methoxybenzyl)-1H-tetrazole | C9H9BrN4O

5-(5-Bromo-2-methoxybenzyl)-1H-tetrazole

  • Molecular FormulaC9H9BrN4O
  • Average mass269.098 Da
  • Monoisotopic mass267.995972 Da
  • ChemSpider ID28546400

More details:

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

1H-Tetrazole, 5-[(5-bromo-2-methoxyphenyl)methyl]- [ACD/Index Name]
5-(5-Brom-2-methoxybenzyl)-1H-tetrazol [German] [ACD/IUPAC Name]
5-(5-Bromo-2-methoxybenzyl)-1H-tetrazole [ACD/IUPAC Name]
5-(5-Bromo-2-méthoxybenzyl)-1H-tétrazole [French] [ACD/IUPAC Name]
1247522-13-9 [RN]
5-[(5-bromo-2-methoxyphenyl)methyl]-1H-1,2,3,4-tetrazole
MFCD14686521

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

Density: 1.6±0.1 g/cm3
Boiling Point: 437.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.4±3.0 kJ/mol
Flash Point: 218.5±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 58.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 2.96
ACD/KOC (pH 5.5): 43.29
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.66
Polar Surface Area: 64 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 167.0±3.0 cm3

Click to predict properties on the Chemicalize site


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