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Search term: KMGHZFICBZGHCX-UITAMQMPSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2Z)-6-Bromo-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}-2-hexenoic acid | C12H18BrNO3

(2Z)-6-Bromo-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}-2-hexenoic acid

  • Molecular FormulaC12H18BrNO3
  • Average mass304.180 Da
  • Monoisotopic mass303.046997 Da
  • ChemSpider ID23111549

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-6-Brom-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}-2-hexensäure [German] [ACD/IUPAC Name]
(2Z)-6-Bromo-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}-2-hexenoic acid [ACD/IUPAC Name]
2-Hexenoic acid, 6-bromo-2-[[(2,2-dimethylcyclopropyl)carbonyl]amino]-, (2Z)- [ACD/Index Name]
Acide (2Z)-6-bromo-2-{[(2,2-diméthylcyclopropyl)carbonyl]amino}-2-hexénoïque [French] [ACD/IUPAC Name]
(2Z)-6-bromo-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}hex-2-enoic acid
6-Bromo-2-[(2,2-dimethyl-cyclopropanecarbonyl)-amino]-hex-2-enoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 508.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 85.3±6.0 kJ/mol
Flash Point: 261.4±30.1 °C
Index of Refraction: 1.547
Molar Refractivity: 68.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 1.41
ACD/KOC (pH 5.5): 16.03
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 215.5±3.0 cm3

Click to predict properties on the Chemicalize site


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