ChemSpider 2D Image | 4-Chloro-6-methyl-1-benzothiophene-5-ol | C9H7ClOS

4-Chloro-6-methyl-1-benzothiophene-5-ol

  • Molecular FormulaC9H7ClOS
  • Average mass198.669 Da
  • Monoisotopic mass197.990616 Da
  • ChemSpider ID61206067

More details:

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

4-Chlor-6-methyl-1-benzothiophen-5-ol [German] [ACD/IUPAC Name]
4-Chloro-6-methyl-1-benzothiophene-5-ol [ACD/IUPAC Name]
4-Chloro-6-méthyl-1-benzothiophène-5-ol [French] [ACD/IUPAC Name]
Benzo[b]thiophene-5-ol, 4-chloro-6-methyl- [ACD/Index Name]
1934387-18-4 [RN]
4-chloro-6-methyl-1-benzothiophen-5-ol
MFCD29464215

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

Density: 1.4±0.1 g/cm3
Boiling Point: 321.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.6±3.0 kJ/mol
Flash Point: 148.2±26.5 °C
Index of Refraction: 1.702
Molar Refractivity: 54.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 541.54
ACD/KOC (pH 5.5): 3140.27
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 290.26
ACD/KOC (pH 7.4): 1683.14
Polar Surface Area: 48 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 139.7±3.0 cm3

Click to predict properties on the Chemicalize site


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