ChemSpider 2D Image | 2-Propyn-1-yl 3-bromo-4-[(3-bromobenzyl)oxy]benzoate | C17H12Br2O3

2-Propyn-1-yl 3-bromo-4-[(3-bromobenzyl)oxy]benzoate

  • Molecular FormulaC17H12Br2O3
  • Average mass424.083 Da
  • Monoisotopic mass421.915314 Da
  • ChemSpider ID44269097

More details:

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

2-Propin-1-yl-3-brom-4-[(3-brombenzyl)oxy]benzoat [German] [ACD/IUPAC Name]
2-Propyn-1-yl 3-bromo-4-[(3-bromobenzyl)oxy]benzoate [ACD/IUPAC Name]
3-Bromo-4-[(3-bromobenzyl)oxy]benzoate de 2-propyn-1-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-[(3-bromophenyl)methoxy]-, 2-propyn-1-yl ester [ACD/Index Name]
benzoic acid, 3-bromo-4-[(3-bromophenyl)methoxy]-, 2-propynyl ester
prop-2-yn-1-yl 3-bromo-4-[(3-bromobenzyl)oxy]benzoate
PROP-2-YN-1-YL 3-BROMO-4-[(3-BROMOPHENYL)METHOXY]BENZOATE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 508.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 261.1±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 91.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6772.46
ACD/KOC (pH 5.5): 19214.96
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6772.46
ACD/KOC (pH 7.4): 19214.96
Polar Surface Area: 36 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 261.2±3.0 cm3

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