Cas no 67031-56-5 (Benzoic acid, 3-amino-2,4,6-triiodo-, sodium salt)

Benzoic acid, 3-amino-2,4,6-triiodo-, sodium salt structure
67031-56-5 structure
Product Name:Benzoic acid, 3-amino-2,4,6-triiodo-, sodium salt
CAS No:67031-56-5
MF:C7H3I3NNaO2
MW:536.807409524918
CID:2722856
Update Time:2023-08-07

Benzoic acid, 3-amino-2,4,6-triiodo-, sodium salt Chemical and Physical Properties

Names and Identifiers

    • sodium,3-amino-2,4,6-triiodobenzoate
    • 3-Amino-2,4,6-triiodobenzoic acid sodium salt
    • BENZOIC ACID, 3-AMINO-2,4,6-TRIIODO-, SODIUM SALT
    • Sodium 3-amino-2,4,6-triiodobenzoate
    • Benzoic acid, 3-amino-2,4,6-triiodo-, sodium salt
    • Inchi: 1S/C7H4I3NO2.Na/c8-2-1-3(9)6(11)5(10)4(2)7(12)13;/h1H,11H2,(H,12,13);/q;+1/p-1
    • InChI Key: CTXRMWPLTDAHOR-UHFFFAOYSA-M
    • SMILES: IC1C(=C(C=C(C=1C(=O)[O-])I)I)N.[Na+]

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 219
  • Topological Polar Surface Area: 66.2
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