ChemSpider 2D Image | (4-Bromo-5-chloro-1H-pyrazol-3-yl)acetic acid | C5H4BrClN2O2

(4-Bromo-5-chloro-1H-pyrazol-3-yl)acetic acid

  • Molecular FormulaC5H4BrClN2O2
  • Average mass239.454 Da
  • Monoisotopic mass237.914459 Da
  • ChemSpider ID45662269

More details:

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

(4-Brom-5-chlor-1H-pyrazol-3-yl)essigsäure [German] [ACD/IUPAC Name]
(4-Bromo-5-chloro-1H-pyrazol-3-yl)acetic acid [ACD/IUPAC Name]
1H-Pyrazole-3-acetic acid, 4-bromo-5-chloro- [ACD/Index Name]
Acide (4-bromo-5-chloro-1H-pyrazol-3-yl)acétique [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: 477.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 242.6±27.3 °C
Index of Refraction: 1.649
Molar Refractivity: 42.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.74
ACD/LogD (pH 7.4): -1.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 77.5±3.0 dyne/cm
Molar Volume: 116.6±3.0 cm3

Click to predict properties on the Chemicalize site


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