ChemSpider 2D Image | Fluoro(1-isopropyl-1H-1,2,4-triazol-5-yl)acetic acid | C7H10FN3O2

Fluoro(1-isopropyl-1H-1,2,4-triazol-5-yl)acetic acid

  • Molecular FormulaC7H10FN3O2
  • Average mass187.172 Da
  • Monoisotopic mass187.075699 Da
  • ChemSpider ID65334514

More details:

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

1H-1,2,4-Triazole-5-acetic acid, α-fluoro-1-(1-methylethyl)- [ACD/Index Name]
Acide fluoro(1-isopropyl-1H-1,2,4-triazol-5-yl)acétique [French] [ACD/IUPAC Name]
Fluor(1-isopropyl-1H-1,2,4-triazol-5-yl)essigsäure [German] [ACD/IUPAC Name]
Fluoro(1-isopropyl-1H-1,2,4-triazol-5-yl)acetic acid [ACD/IUPAC Name]
1865037-96-2 [RN]
2-fluoro-2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]acetic acid
MFCD30324577

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

Density: 1.4±0.1 g/cm3
Boiling Point: 366.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.7±3.0 kJ/mol
Flash Point: 175.4±30.7 °C
Index of Refraction: 1.570
Molar Refractivity: 43.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): -3.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 43.1±7.0 dyne/cm
Molar Volume: 132.7±7.0 cm3

Click to predict properties on the Chemicalize site


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