ChemSpider 2D Image | 3-[5-Bromo-3-(hydrazinocarbonyl)-1H-pyrazol-4-yl]-2-propynoic acid | C7H5BrN4O3

3-[5-Bromo-3-(hydrazinocarbonyl)-1H-pyrazol-4-yl]-2-propynoic acid

  • Molecular FormulaC7H5BrN4O3
  • Average mass273.044 Da
  • Monoisotopic mass271.954498 Da
  • ChemSpider ID93746056

More details:

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

1H-Pyrazole-3-carboxylic acid, 5-bromo-4-(2-carboxyethynyl)-, 3-hydrazide [ACD/Index Name]
3-[5-Brom-3-(hydrazinocarbonyl)-1H-pyrazol-4-yl]-2-propinsäure [German] [ACD/IUPAC Name]
3-[5-Bromo-3-(hydrazinocarbonyl)-1H-pyrazol-4-yl]-2-propynoic acid [ACD/IUPAC Name]
Acide 3-[5-bromo-3-(hydrazinocarbonyl)-1H-pyrazol-4-yl]-2-propynoïque [French] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.747
Molar Refractivity: 51.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.15
ACD/LogD (pH 5.5): -4.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 132.7±5.0 dyne/cm
Molar Volume: 127.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement