ChemSpider 2D Image | MC21-A | C12H6Br4O2

MC21-A

  • Molecular FormulaC12H6Br4O2
  • Average mass501.791 Da
  • Monoisotopic mass497.710114 Da
  • ChemSpider ID28660

More details:






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

[1,1'-Biphenyl]-2,2'-diol, 3,3',5,5'-tetrabromo- [ACD/Index Name]
244-679-3 [EINECS]
3,3',5,5'-Tetrabrom-2,2'-biphenyldiol [German] [ACD/IUPAC Name]
3,3',5,5'-Tetrabromo(1,1'-biphenyl)-2,2'-diol
3,3',5,5'-Tetrabromo-2,2'-biphenyldiol [ACD/IUPAC Name]
3,3',5,5'-Tétrabromo-2,2'-biphényldiol [French] [ACD/IUPAC Name]
3,3',5,5'-Tetrabromobiphenyl-2,2'-diol
4,4',6,6'-Tetrabromo-o,o'-biphenol
Bromophene
MC21-A
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS017792 [DBID]
AIDS-017792 [DBID]
BRN 2385164 [DBID]
ZINC01553976 [DBID]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 393.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 192.0±26.5 °C
Index of Refraction: 1.719
Molar Refractivity: 85.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12484.84
ACD/KOC (pH 5.5): 29261.70
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 1516.43
ACD/KOC (pH 7.4): 3554.17
Polar Surface Area: 40 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 216.3±3.0 cm3

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