Found 2 results

Search term: FTRRZJIVFMSIJJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3S)-3-Bromo-2,3-dihydro-4H-chromen-4-one | C9H7BrO2

(3S)-3-Bromo-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC9H7BrO2
  • Average mass227.055 Da
  • Monoisotopic mass225.962936 Da
  • ChemSpider ID67966989

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Brom-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3S)-3-Bromo-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3S)-3-Bromo-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-bromo-2,3-dihydro-, (3S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 319.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.1±3.0 kJ/mol
Flash Point: 147.1±27.9 °C
Index of Refraction: 1.611
Molar Refractivity: 47.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.22
ACD/KOC (pH 5.5): 380.10
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.22
ACD/KOC (pH 7.4): 380.10
Polar Surface Area: 26 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 138.2±3.0 cm3

Click to predict properties on the Chemicalize site


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