Found 93 results

Search term: MF = 'C_{9}H_{5}F_{2}NO_{2}S'
ChemSpider 2D Image | 4-Cyano-2-(difluoromethyl)-3-sulfanylbenzoic acid | C9H5F2NO2S

4-Cyano-2-(difluoromethyl)-3-sulfanylbenzoic acid

  • Molecular FormulaC9H5F2NO2S
  • Average mass229.203 Da
  • Monoisotopic mass229.000900 Da
  • ChemSpider ID57336802

More details:

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

4-Cyan-2-(difluormethyl)-3-sulfanylbenzoesäure [German] [ACD/IUPAC Name]
4-Cyano-2-(difluoromethyl)-3-sulfanylbenzoic acid [ACD/IUPAC Name]
Acide 4-cyano-2-(difluorométhyl)-3-sulfanylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-cyano-2-(difluoromethyl)-3-mercapto- [ACD/Index Name]
1807241-57-1 [RN]
4-Cyano-2-(difluoromethyl)-3-mercaptobenzoic acid
4-Cyano-2-difluoromethyl-3-mercaptobenzoic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 398.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 194.8±27.9 °C
Index of Refraction: 1.576
Molar Refractivity: 50.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 151.9±5.0 cm3

Click to predict properties on the Chemicalize site


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