ChemSpider 2D Image | MFCD11847005 | C8H4BrNO2

MFCD11847005

  • Molecular FormulaC8H4BrNO2
  • Average mass226.027 Da
  • Monoisotopic mass224.942535 Da
  • ChemSpider ID25949152

More details:

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

2-Brom-5-cyanbenzoesäure [German] [ACD/IUPAC Name]
2-Bromo-5-cyanobenzoic acid [ACD/IUPAC Name]
845616-12-8 [RN]
Acide 2-bromo-5-cyanobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-bromo-5-cyano- [ACD/Index Name]
MFCD11847005
[845616-12-8] [RN]
1-benzyloxy-4-methoxy-2-nitro-benzene
20839-78-5 [RN]
2-bromanyl-5-cyano-benzoic acid
More...

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

Density: 1.8±0.1 g/cm3
Boiling Point: 352.0±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 166.7±25.1 °C
Index of Refraction: 1.651
Molar Refractivity: 45.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 61 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 124.1±5.0 cm3

Click to predict properties on the Chemicalize site


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