Found 147 results

Search term: MF = 'C_{12}H_{7}BrN_{2}O_{2}S'
ChemSpider 2D Image | (3Z)-6-Bromo-3-(1,2,3-thiadiazol-4-ylmethylene)-2,3-dihydro-4H-chromen-4-one | C12H7BrN2O2S

(3Z)-6-Bromo-3-(1,2,3-thiadiazol-4-ylmethylene)-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC12H7BrN2O2S
  • Average mass323.165 Da
  • Monoisotopic mass321.941162 Da
  • ChemSpider ID30724741

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-6-Brom-3-(1,2,3-thiadiazol-4-ylmethylen)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3Z)-6-Bromo-3-(1,2,3-thiadiazol-4-ylmethylene)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3Z)-6-Bromo-3-(1,2,3-thiadiazol-4-ylméthylène)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 6-bromo-2,3-dihydro-3-(1,2,3-thiadiazol-4-ylmethylene)-, (3Z)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 502.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 257.7±32.9 °C
Index of Refraction: 1.727
Molar Refractivity: 73.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 132.53
ACD/KOC (pH 5.5): 1150.16
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 132.53
ACD/KOC (pH 7.4): 1150.16
Polar Surface Area: 80 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 76.3±3.0 dyne/cm
Molar Volume: 183.7±3.0 cm3

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