Found 5 results

Search term: MF = 'C_{13}H_{7}Br_{2}NO_{3}'
ChemSpider 2D Image | 6,8-Dibromo-3-(3-methyl-1,2-oxazol-5-yl)-2H-chromen-2-one | C13H7Br2NO3

6,8-Dibromo-3-(3-methyl-1,2-oxazol-5-yl)-2H-chromen-2-one

  • Molecular FormulaC13H7Br2NO3
  • Average mass385.008 Da
  • Monoisotopic mass382.879242 Da
  • ChemSpider ID77719829

More details:

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

2H-1-Benzopyran-2-one, 6,8-dibromo-3-(3-methyl-5-isoxazolyl)- [ACD/Index Name]
6,8-Dibrom-3-(3-methyl-1,2-oxazol-5-yl)-2H-chromen-2-on [German] [ACD/IUPAC Name]
6,8-Dibromo-3-(3-methyl-1,2-oxazol-5-yl)-2H-chromen-2-one [ACD/IUPAC Name]
6,8-Dibromo-3-(3-méthyl-1,2-oxazol-5-yl)-2H-chromén-2-one [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 527.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.7±30.1 °C
Index of Refraction: 1.655
Molar Refractivity: 74.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1088.54
ACD/KOC (pH 5.5): 5192.44
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1088.54
ACD/KOC (pH 7.4): 5192.44
Polar Surface Area: 52 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 203.9±3.0 cm3

Click to predict properties on the Chemicalize site


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