chempirical

[1,1′-Biphenyl]-4-sulfonic acid

C12H10O3SCAS 2113-68-0234.27 g/mol

Open in Covalent MOL file
OSOOH
AlcoholSulfone

Properties

Molecular formula
C12H10O3S
Molar mass
234.27 g/mol
Exact mass
234.0351 Da
Melting point
138–140 °C
logP
2.60Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
2113-68-0
SMILES
O=S(=O)(O)c1ccc(-c2ccccc2)cc1
InChIKey
XDTYUYVIGLIFCW-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O3S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,13,14,15)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 4-Biphenylsulfonic acid
  • p-Biphenylsulfonic acid
  • 4-Sulfobiphenyl
  • Diphenyl-4-sulfonic acid
  • NSC 158280

Work with [1,1′-Biphenyl]-4-sulfonic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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