ChemSpider 2D Image | 2'-(Methylsulfonyl)-3-biphenylcarboxylic acid | C14H12O4S

2'-(Methylsulfonyl)-3-biphenylcarboxylic acid

  • Molecular FormulaC14H12O4S
  • Average mass276.308 Da
  • Monoisotopic mass276.045624 Da
  • ChemSpider ID26521042

More details:

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

[1,1'-Biphenyl]-3-carboxylic acid, 2'-(methylsulfonyl)- [ACD/Index Name]
1194374-30-5 [RN]
2'-(Methylsulfonyl)-3-biphenylcarboxylic acid [ACD/IUPAC Name]
2'-(Methanesulfonyl)[1,1'-biphenyl]-3-carboxylic acid
2'-(Methylsulfonyl)-[1,1'-biphenyl]-3-carboxylic acid
2'-(Methylsulfonyl)-3-biphenylcarbonsäure [German] [ACD/IUPAC Name]
2'-(methylsulfonyl)biphenyl-3-carboxylic acid
2'-(methylsulfonyl)biphenyl-3-carboxylicacid
2'-Methanesulfonyl-biphenyl-3-carboxylic acid
3-(2-methanesulfonylphenyl)benzoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 557.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 290.7±30.1 °C
Index of Refraction: 1.597
Molar Refractivity: 71.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 14.53
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 209.0±3.0 cm3

Click to predict properties on the Chemicalize site


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