ChemSpider 2D Image | 4-(5-Bromo-2-pyridinyl)benzoic acid | C12H8BrNO2

4-(5-Bromo-2-pyridinyl)benzoic acid

  • Molecular FormulaC12H8BrNO2
  • Average mass278.101 Da
  • Monoisotopic mass276.973846 Da
  • ChemSpider ID45090560

More details:

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

1255635-99-4 [RN]
4-(5-Brom-2-pyridinyl)benzoesäure [German] [ACD/IUPAC Name]
4-(5-Bromo-2-pyridinyl)benzoic acid [ACD/IUPAC Name]
4-(5-Bromopyridin-2-yl)benzoic acid
Acide 4-(5-bromo-2-pyridinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(5-bromo-2-pyridinyl)- [ACD/Index Name]
4-(5-BROMO-2-PYRIDINYL)-BENZOIC ACID
4-?(5-?bromo-?2-?pyridinyl)?-Benzoic acid
MFCD17677961

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

Density: 1.6±0.1 g/cm3
Boiling Point: 419.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 207.6±25.9 °C
Index of Refraction: 1.639
Molar Refractivity: 63.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 5.93
ACD/KOC (pH 5.5): 41.13
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.94
Polar Surface Area: 50 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 176.7±3.0 cm3

Click to predict properties on the Chemicalize site


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