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ChemSpider 2D Image | 1-[(2,4-Dichlorophenyl)(2,3-dihydro-1-benzofuran-2-yl)methyl]-1H-tetrazole | C16H12Cl2N4O

1-[(2,4-Dichlorophenyl)(2,3-dihydro-1-benzofuran-2-yl)methyl]-1H-tetrazole

  • Molecular FormulaC16H12Cl2N4O
  • Average mass347.199 Da
  • Monoisotopic mass346.038818 Da
  • ChemSpider ID23157493

More details:






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

1-[(2,4-Dichlorophenyl)(2,3-dihydro-1-benzofuran-2-yl)methyl]-1H-tetrazole [ACD/IUPAC Name]
1-[(2,4-Dichlorophényl)(2,3-dihydro-1-benzofuran-2-yl)méthyl]-1H-tétrazole [French] [ACD/IUPAC Name]
1-[(2,4-Dichlorphenyl)(2,3-dihydro-1-benzofuran-2-yl)methyl]-1H-tetrazol [German] [ACD/IUPAC Name]
1H-Tetrazole, 1-[(2,4-dichlorophenyl)(2,3-dihydro-2-benzofuranyl)methyl]- [ACD/Index Name]
1-[(2,4-Dichloro-phenyl)-(2,3-dihydro-benzofuran-2-yl)-methyl]-1H-tetrazole
CHEMBL65549

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

Density: 1.5±0.1 g/cm3
Boiling Point: 518.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 267.1±32.9 °C
Index of Refraction: 1.725
Molar Refractivity: 89.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1822.69
ACD/KOC (pH 5.5): 7509.55
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1822.70
ACD/KOC (pH 7.4): 7509.63
Polar Surface Area: 53 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 57.7±7.0 dyne/cm
Molar Volume: 226.2±7.0 cm3

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