Cas no 921620-76-0 (Methyl 3-formyl-2-iodobenzoate)

Methyl 3-formyl-2-iodobenzoate structure
921620-76-0 structure
Product Name:Methyl 3-formyl-2-iodobenzoate
CAS No:921620-76-0
MF:C9H7IO3
MW:290.054555177689
CID:743840
Update Time:2023-08-03

Methyl 3-formyl-2-iodobenzoate Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-formyl-2-iodo-, methyl ester
    • methyl 3-formyl-2-iodobenzoate
    • Methyl 3-formyl-2-iodobenzoate
    • Inchi: 1S/C9H7IO3/c1-13-9(12)7-4-2-3-6(5-11)8(7)10/h2-5H,1H3
    • InChI Key: YWRRPTFKNDANCF-UHFFFAOYSA-N
    • SMILES: IC1C(C=O)=CC=CC=1C(=O)OC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 205
  • Topological Polar Surface Area: 43.4
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