ChemSpider 2D Image | 4,6-Dichloro-1-(3-methoxybenzyl)-1H-pyrazolo[3,4-d]pyrimidine | C13H10Cl2N4O

4,6-Dichloro-1-(3-methoxybenzyl)-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC13H10Cl2N4O
  • Average mass309.151 Da
  • Monoisotopic mass308.023163 Da
  • ChemSpider ID24540639

More details:






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

1H-Pyrazolo[3,4-d]pyrimidine, 4,6-dichloro-1-[(3-methoxyphenyl)methyl]- [ACD/Index Name]
4,6-Dichlor-1-(3-methoxybenzyl)-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
4,6-Dichloro-1-(3-methoxybenzyl)-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
4,6-Dichloro-1-(3-méthoxybenzyl)-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
1-(3-methoxybenzyl)-4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine
1184913-85-6 [RN]
3-[(4,6-dichloropyrazolo[5,4-d]pyrimidinyl)methyl]-1-methoxybenzene
4,6-dichloro-1-(3-methoxybenzyl)-1H-pyrazolo[3,4-d]pyrimidine(WX130394)
4,6-dichloro-1-[(3-methoxyphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 447.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 224.1±28.7 °C
Index of Refraction: 1.687
Molar Refractivity: 78.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 177.40
ACD/KOC (pH 5.5): 1417.14
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 177.40
ACD/KOC (pH 7.4): 1417.14
Polar Surface Area: 53 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 205.6±7.0 cm3

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