Cas no 921620-77-1 (3-Formyl-2-iodobenzoic acid)

3-Formyl-2-iodobenzoic acid structure
3-Formyl-2-iodobenzoic acid structure
Product Name:3-Formyl-2-iodobenzoic acid
CAS No:921620-77-1
MF:C8H5IO3
MW:276.027974843979
CID:743839
Update Time:2023-08-03

3-Formyl-2-iodobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-formyl-2-iodo-
    • 3-formyl-2-iodobenzoic acid
    • 3-Formyl-2-iodobenzoic acid
    • Inchi: 1S/C8H5IO3/c9-7-5(4-10)2-1-3-6(7)8(11)12/h1-4H,(H,11,12)
    • InChI Key: YISUSKYRZNWKLO-UHFFFAOYSA-N
    • SMILES: IC1C(C=O)=CC=CC=1C(=O)O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 193
  • Topological Polar Surface Area: 54.4
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