ChemSpider 2D Image | 2-[3-(4-Bromophenyl)propanoyl]benzenecarbothialdehyde | C16H13BrOS

2-[3-(4-Bromophenyl)propanoyl]benzenecarbothialdehyde

  • Molecular FormulaC16H13BrOS
  • Average mass333.243 Da
  • Monoisotopic mass331.987030 Da
  • ChemSpider ID57422229

More details:

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

2-[3-(4-Bromophenyl)propanoyl]benzenecarbothialdehyde [ACD/IUPAC Name]
2-[3-(4-Bromophényl)propanoyl]benzènecarbothialdéhyde [French] [ACD/IUPAC Name]
2-[3-(4-Bromphenyl)propanoyl]benzolcarbothialdehyd [German] [ACD/IUPAC Name]
Benzenecarbothioaldehyde, 2-[3-(4-bromophenyl)-1-oxopropyl]- [ACD/Index Name]
2-(3-(4-Bromophenyl)propanoyl)benzothialdehyde
898761-19-8 [RN]
MFCD03843362 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 472.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 239.4±31.5 °C
Index of Refraction: 1.667
Molar Refractivity: 87.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 884.42
ACD/KOC (pH 5.5): 4475.27
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 884.42
ACD/KOC (pH 7.4): 4475.27
Polar Surface Area: 49 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 233.9±3.0 cm3

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