ChemSpider 2D Image | 7-Chloro-2-{difluoro[(4-methyl-2-pyrimidinyl)sulfanyl]methyl}-1,3-benzoxazole | C13H8ClF2N3OS

7-Chloro-2-{difluoro[(4-methyl-2-pyrimidinyl)sulfanyl]methyl}-1,3-benzoxazole

  • Molecular FormulaC13H8ClF2N3OS
  • Average mass327.737 Da
  • Monoisotopic mass327.004456 Da
  • ChemSpider ID28486529

More details:

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

7-Chlor-2-{difluor[(4-methyl-2-pyrimidinyl)sulfanyl]methyl}-1,3-benzoxazol [German] [ACD/IUPAC Name]
7-Chloro-2-{difluoro[(4-methyl-2-pyrimidinyl)sulfanyl]methyl}-1,3-benzoxazole [ACD/IUPAC Name]
7-Chloro-2-{difluoro[(4-méthyl-2-pyrimidinyl)sulfanyl]méthyl}-1,3-benzoxazole [French] [ACD/IUPAC Name]
Benzoxazole, 7-chloro-2-[difluoro[(4-methyl-2-pyrimidinyl)thio]methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 383.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.7±3.0 kJ/mol
Flash Point: 185.4±27.9 °C
Index of Refraction: 1.646
Molar Refractivity: 77.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1173.92
ACD/KOC (pH 5.5): 5480.83
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1173.92
ACD/KOC (pH 7.4): 5480.84
Polar Surface Area: 77 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 212.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement