Found 1716 results

Search term: MF = 'C_{11}H_{8}ClN_{3}O_{2}'
ChemSpider 2D Image | 4-[(2-Chloro-4-pyrimidinyl)amino]benzoic acid | C11H8ClN3O2

4-[(2-Chloro-4-pyrimidinyl)amino]benzoic acid

  • Molecular FormulaC11H8ClN3O2
  • Average mass249.653 Da
  • Monoisotopic mass249.030502 Da
  • ChemSpider ID22547441

More details:

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

1208083-39-9 [RN]
4-[(2-Chlor-4-pyrimidinyl)amino]benzoesäure [German] [ACD/IUPAC Name]
4-[(2-Chloro-4-pyrimidinyl)amino]benzoic acid [ACD/IUPAC Name]
4-[(2-chloropyrimidin-4-yl)amino]benzoic acid
Acide 4-[(2-chloro-4-pyrimidinyl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2-chloro-4-pyrimidinyl)amino]- [ACD/Index Name]
4-((2-Chloropyrimidin-4-yl)amino)benzoic acid
4-(2-Chloro-pyrimidin-4-ylamino)-benzoic acid
MFCD11505013 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 521.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 269.0±24.6 °C
Index of Refraction: 1.690
Molar Refractivity: 63.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 5.52
ACD/KOC (pH 5.5): 51.88
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.35
Polar Surface Area: 75 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 73.3±3.0 dyne/cm
Molar Volume: 166.4±3.0 cm3

Click to predict properties on the Chemicalize site


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