ChemSpider 2D Image | (2-Chloro-6-fluorophenyl)acetyl isothiocyanate | C9H5ClFNOS

(2-Chloro-6-fluorophenyl)acetyl isothiocyanate

  • Molecular FormulaC9H5ClFNOS
  • Average mass229.658 Da
  • Monoisotopic mass228.976440 Da
  • ChemSpider ID41470368

More details:

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

(2-Chlor-6-fluorphenyl)acetylisothiocyanat [German] [ACD/IUPAC Name]
(2-Chloro-6-fluorophenyl)acetyl isothiocyanate [ACD/IUPAC Name]
Benzeneacetyl isothiocyanate, 2-chloro-6-fluoro- [ACD/Index Name]
Isothiocyanate de (2-chloro-6-fluorophényl)acétyle [French] [ACD/IUPAC Name]
875341-02-9 [RN]
MFCD12188927

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

Density: 1.3±0.1 g/cm3
Boiling Point: 317.9±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.9±3.0 kJ/mol
Flash Point: 146.1±25.1 °C
Index of Refraction: 1.580
Molar Refractivity: 57.2±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 221.26
ACD/KOC (pH 5.5): 1659.92
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 221.26
ACD/KOC (pH 7.4): 1659.92
Polar Surface Area: 62 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 39.3±7.0 dyne/cm
Molar Volume: 171.8±7.0 cm3

Click to predict properties on the Chemicalize site


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