ChemSpider 2D Image | (3-bromo-1,2,4-triazol-1-yl)acetic acid | C4H4BrN3O2

(3-bromo-1,2,4-triazol-1-yl)acetic acid

  • Molecular FormulaC4H4BrN3O2
  • Average mass205.997 Da
  • Monoisotopic mass204.948685 Da
  • ChemSpider ID32510122

More details:

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

(3-Brom-1H-1,2,4-triazol-1-yl)essigsäure [German] [ACD/IUPAC Name]
(3-bromo-1,2,4-triazol-1-yl)acetic acid
(3-Bromo-1H-1,2,4-triazol-1-yl)acetic acid [ACD/IUPAC Name]
1449369-00-9 [RN]
1H-1,2,4-Triazole-1-acetic acid, 3-bromo- [ACD/Index Name]
2-(3-bromo-1H-1,2,4-triazol-1-yl)acetic acid
Acide (3-bromo-1H-1,2,4-triazol-1-yl)acétique [French] [ACD/IUPAC Name]
(3-Bromo-[1,2,4]triazol-1-yl)-acetic acid
2-(3-bromo-1,2,4-triazol-1-yl)acetic acid
MFCD28142538
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 2.2±0.1 g/cm3
    Boiling Point: 437.8±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.2±3.0 kJ/mol
    Flash Point: 218.6±29.3 °C
    Index of Refraction: 1.720
    Molar Refractivity: 37.8±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.20
    ACD/LogD (pH 5.5): -1.98
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.47
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 68 Å2
    Polarizability: 15.0±0.5 10-24cm3
    Surface Tension: 76.2±7.0 dyne/cm
    Molar Volume: 95.6±7.0 cm3

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