Cas no 69847-62-7 (1,3-Benzenedicarboxylic acid, polymer with 1,3-benzenediamine and 2,4-diaminobenzenesulfonic acid)

1,3-Benzenedicarboxylic acid, polymer with 1,3-benzenediamine and 2,4-diaminobenzenesulfonic acid structure
69847-62-7 structure
Product Name:1,3-Benzenedicarboxylic acid, polymer with 1,3-benzenediamine and 2,4-diaminobenzenesulfonic acid
CAS No:69847-62-7
MF:C20H22N4O7S
MW:462.476283550262
CID:2682712
Update Time:2023-08-07

1,3-Benzenedicarboxylic acid, polymer with 1,3-benzenediamine and 2,4-diaminobenzenesulfonic acid Chemical and Physical Properties

Names and Identifiers

    • benzene-1,3-diamine,benzene-1,3-dicarboxylic acid,2,4-diaminobenzenesulfonic acid
    • 1,3-Benzenedicarboxylic acid, polymer with 1,3-benzenediamine and 2,4-diaminobenzenesulfonic acid
    • 2,4-Diaminobenzenesulfonic acid, isophthalic acid, m-phenylenediamine polymer
    • Inchi: 1S/C8H6O4.C6H8N2O3S.C6H8N2/c9-7(10)5-2-1-3-6(4-5)8(11)12;7-4-1-2-6(5(8)3-4)12(9,10)11;7-5-2-1-3-6(8)4-5/h1-4H,(H,9,10)(H,11,12);1-3H,7-8H2,(H,9,10,11);1-4H,7-8H2
    • InChI Key: NNVQBMRBRPWABJ-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1N)N)(=O)(=O)O.OC(C1C=CC=C(C(=O)O)C=1)=O.NC1C=CC=C(C=1)N

Computed Properties

  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 3
  • Complexity: 490
  • Topological Polar Surface Area: 241

1,3-Benzenedicarboxylic acid, polymer with 1,3-benzenediamine and 2,4-diaminobenzenesulfonic acid Related Literature

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