ChemSpider 2D Image | 3-[(4-Bromophenyl)sulfinyl]alanine | C9H10BrNO3S

3-[(4-Bromophenyl)sulfinyl]alanine

  • Molecular FormulaC9H10BrNO3S
  • Average mass292.150 Da
  • Monoisotopic mass290.956482 Da
  • ChemSpider ID48794375

More details:

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

3-[(4-Bromophenyl)sulfinyl]alanine [ACD/IUPAC Name]
3-[(4-Bromophényl)sulfinyl]alanine [French] [ACD/IUPAC Name]
3-[(4-Bromphenyl)sulfinyl]alanin [German] [ACD/IUPAC Name]
Alanine, 3-[(4-bromophenyl)sulfinyl]- [ACD/Index Name]
2-AMINO-3-(4-BROMOBENZENESULFINYL)PROPANOIC ACID

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

Density: 1.8±0.1 g/cm3
Boiling Point: 492.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 251.7±28.7 °C
Index of Refraction: 1.698
Molar Refractivity: 62.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): -1.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 89.1±5.0 dyne/cm
Molar Volume: 162.0±5.0 cm3

Click to predict properties on the Chemicalize site


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