ChemSpider 2D Image | Methyl 4-(3-chloro-4-hydroxyphenyl)-2-thiophenecarboxylate | C12H9ClO3S

Methyl 4-(3-chloro-4-hydroxyphenyl)-2-thiophenecarboxylate

  • Molecular FormulaC12H9ClO3S
  • Average mass268.716 Da
  • Monoisotopic mass267.996094 Da
  • ChemSpider ID26524415

More details:






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

2-Thiophenecarboxylic acid, 4-(3-chloro-4-hydroxyphenyl)-, methyl ester [ACD/Index Name]
4-(3-Chloro-4-hydroxyphényl)-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-(3-chloro-4-hydroxyphenyl)-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-4-(3-chlor-4-hydroxyphenyl)-2-thiophencarboxylat [German] [ACD/IUPAC Name]
1261961-14-1 [RN]
2-Chloro-4-[5-(methoxycarbonyl)thiophen-3-yl]phenol
Methyl 4-(3-chloro-4-hydroxyphenyl)thiophene-2-carboxylate
YA-4790

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 380.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 184.2±27.9 °C
Index of Refraction: 1.622
Molar Refractivity: 67.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 264.67
ACD/KOC (pH 5.5): 1885.01
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 204.72
ACD/KOC (pH 7.4): 1458.02
Polar Surface Area: 75 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 192.5±3.0 cm3

Click to predict properties on the Chemicalize site






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