Cas no 893736-84-0 ([1,1'-Biphenyl]-2,3'-dicarboxylicacid, 2-methyl ester)

[1,1'-Biphenyl]-2,3'-dicarboxylicacid, 2-methyl ester structure
893736-84-0 structure
Product Name:[1,1'-Biphenyl]-2,3'-dicarboxylicacid, 2-methyl ester
CAS No:893736-84-0
MF:C13H11NO4S
MW:277.295742273331
CID:714667
Update Time:2024-01-31

[1,1'-Biphenyl]-2,3'-dicarboxylicacid, 2-methyl ester Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-2,3'-dicarboxylicacid, 2-methyl ester
    • 2'-(methoxycarbonyl)-[1,1'-biphenyl]-3-carboxylic acid
    • 3-(2-Aminosulfonylphenyl)benzoic acid
    • 3-(2-sulfamoylphenyl)benzoic acid
    • 2'-Sulfamoylbiphenyl-3-carboxylic acid
    • Methyl 2-(3-carboxyphenyl)benzoate
    • 3-(2-Carbamoylphenyl)benzoic acid
    • 3-(3-Aminosulfonylphenyl)benozoic acid
    • 3-(4-Aminosulfonylphenyl)benzoic acid
    • 3-(4-Sulfophenyl)benzoic acid
    • Inchi: 1S/C13H11NO4S/c14-19(17,18)12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-8H,(H,15,16)(H2,14,17,18)
    • InChI Key: GHTXHTSFJAZACO-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C1=CC=CC(C2=CC=CC=C2S(N)(=O)=O)=C1

Computed Properties

  • Exact Mass: 277.04100
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 428
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.6

Experimental Properties

  • PSA: 105.84000
  • LogP: 3.48030
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