ChemSpider 2D Image | 5-[(4-Nitro-1H-pyrazol-1-yl)methyl]-3-thiophenecarbaldehyde | C9H7N3O3S

5-[(4-Nitro-1H-pyrazol-1-yl)methyl]-3-thiophenecarbaldehyde

  • Molecular FormulaC9H7N3O3S
  • Average mass237.235 Da
  • Monoisotopic mass237.020813 Da
  • ChemSpider ID22752238

More details:

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

3-Thiophenecarboxaldehyde, 5-[(4-nitro-1H-pyrazol-1-yl)methyl]- [ACD/Index Name]
5-[(4-Nitro-1H-pyrazol-1-yl)methyl]-3-thiophencarbaldehyd [German] [ACD/IUPAC Name]
5-[(4-Nitro-1H-pyrazol-1-yl)methyl]-3-thiophenecarbaldehyde [ACD/IUPAC Name]
5-[(4-Nitro-1H-pyrazol-1-yl)méthyl]-3-thiophènecarbaldéhyde [French] [ACD/IUPAC Name]
5-(4-Nitro-pyrazol-1-ylmethyl)-thiophene-3-carbaldehyde
5-[(4-nitro-1H-pyrazol-1-yl)methyl]thiophene-3-carbaldehyde
5-[(4-NITROPYRAZOL-1-YL)METHYL]THIOPHENE-3-CARBALDEHYDE
5-[(4-nitropyrazolyl)methyl]thiophene-3-carbaldehyde

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

Density: 1.5±0.1 g/cm3
Boiling Point: 461.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 233.2±28.7 °C
Index of Refraction: 1.716
Molar Refractivity: 60.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.30
ACD/KOC (pH 5.5): 144.38
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.30
ACD/KOC (pH 7.4): 144.38
Polar Surface Area: 109 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 72.4±7.0 dyne/cm
Molar Volume: 153.2±7.0 cm3

Click to predict properties on the Chemicalize site


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