ChemSpider 2D Image | 7-(Hydroxymethyl)-4-iodo-1-benzothiophene-3-ol | C9H7IO2S

7-(Hydroxymethyl)-4-iodo-1-benzothiophene-3-ol

  • Molecular FormulaC9H7IO2S
  • Average mass306.120 Da
  • Monoisotopic mass305.921143 Da
  • ChemSpider ID61094597

More details:

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

7-(Hydroxymethyl)-4-iod-1-benzothiophen-3-ol [German] [ACD/IUPAC Name]
7-(Hydroxymethyl)-4-iodo-1-benzothiophene-3-ol [ACD/IUPAC Name]
7-(Hydroxyméthyl)-4-iodo-1-benzothiophène-3-ol [French] [ACD/IUPAC Name]
Benzo[b]thiophene-7-methanol, 3-hydroxy-4-iodo- [ACD/Index Name]
1934435-45-6 [RN]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 451.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 227.1±27.3 °C
Index of Refraction: 1.813
Molar Refractivity: 63.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 85.07
ACD/KOC (pH 5.5): 837.08
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 76.86
ACD/KOC (pH 7.4): 756.29
Polar Surface Area: 69 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 78.4±3.0 dyne/cm
Molar Volume: 147.3±3.0 cm3

Click to predict properties on the Chemicalize site


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