Found 535 results

Search term: MF = 'C_{12}H_{9}ClO_{2}S'
ChemSpider 2D Image | 5-(3-Chlorophenyl)-4-methyl-2-thiophenecarboxylic acid | C12H9ClO2S

5-(3-Chlorophenyl)-4-methyl-2-thiophenecarboxylic acid

  • Molecular FormulaC12H9ClO2S
  • Average mass252.717 Da
  • Monoisotopic mass252.001175 Da
  • ChemSpider ID24303029

More details:

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

1039859-49-8 [RN]
2-Thiophenecarboxylic acid, 5-(3-chlorophenyl)-4-methyl- [ACD/Index Name]
5-(3-Chlorophenyl)-4-methyl-2-thiophenecarboxylic acid [ACD/IUPAC Name]
5-(3-chlorophenyl)-4-methylthiophene-2-carboxylic acid
5-(3-Chlorphenyl)-4-methyl-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
Acide 5-(3-chlorophényl)-4-méthyl-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
MFCD11189723 [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: 405.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 199.0±28.7 °C
Index of Refraction: 1.631
Molar Refractivity: 65.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 22.04
ACD/KOC (pH 5.5): 96.60
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 1.31
ACD/KOC (pH 7.4): 5.72
Polar Surface Area: 66 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 185.0±3.0 cm3

Click to predict properties on the Chemicalize site


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