ChemSpider 2D Image | 3-Chloro-4,6-dihydroxy-1-benzothiophene-2-carboxylic acid | C9H5ClO4S

3-Chloro-4,6-dihydroxy-1-benzothiophene-2-carboxylic acid

  • Molecular FormulaC9H5ClO4S
  • Average mass244.652 Da
  • Monoisotopic mass243.959702 Da
  • ChemSpider ID34444358

More details:

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

3-Chlor-4,6-dihydroxy-1-benzothiophen-2-carbonsäure [German] [ACD/IUPAC Name]
3-Chloro-4,6-dihydroxy-1-benzothiophene-2-carboxylic acid [ACD/IUPAC Name]
Acide 3-chloro-4,6-dihydroxy-1-benzothiophène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 3-chloro-4,6-dihydroxy- [ACD/Index Name]
1397195-11-7 [RN]
3-chloro-4,6-dihydroxybenzo[b]thiophene-2-carboxylic acid
MFCD09745793

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.812
Molar Refractivity: 58.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.50
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 97.6±3.0 dyne/cm
Molar Volume: 134.4±3.0 cm3

Click to predict properties on the Chemicalize site


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