ChemSpider 2D Image | bromofenofos | C12H7Br4O5P

bromofenofos

  • Molecular FormulaC12H7Br4O5P
  • Average mass581.771 Da
  • Monoisotopic mass577.676453 Da
  • ChemSpider ID28444

More details:



Featured data source



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

[1,1'-Biphenyl]-2,2'-diol, 3,3',5,5'-tetrabromo-, mono(dihydrogen phosphate) [ACD/Index Name]
21466-07-9 [RN]
244-400-5 [EINECS]
3,3',5,5'-Tetrabrom-2'-hydroxy-2-biphenylyldihydrogenphosphat [German] [ACD/IUPAC Name]
3,3',5,5'-Tetrabrom-2'-hydroxy-2-biphenylyldihydrogen-phosphat
3,3',5,5'-tetrabromo-(1,1'-biphenyl)-2,2'-diol mono(dihydrogen phosphate)
3,3',5,5'-Tetrabromo-2'-hydroxy-2-biphenylyl dihydrogen phosphate [ACD/IUPAC Name]
3,3',5,5'-Tetrabromo-2'-hydroxybiphenyl-2-yl dihydrogen phosphate
4,4',6,6'-Tetrabromobiphenyl-2,2'-diol Mono(dihydrogen Phosphate)
4752
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AI3-29189 [DBID]
BRN 3011582 [DBID]
CCRIS 5741 [DBID]
Ph 1882 [DBID]
  • Miscellaneous
    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.172542823 GlaxoSmithKline Malaria Set

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.4±0.1 g/cm3
Boiling Point: 562.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 294.2±32.9 °C
Index of Refraction: 1.709
Molar Refractivity: 95.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.18
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 75.2±3.0 dyne/cm
Molar Volume: 244.5±3.0 cm3

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