Cas no 1131614-19-1 (3-Iodo-4-isobutoxybenzoic acid)

3-Iodo-4-isobutoxybenzoic acid structure
1131614-19-1 structure
Product Name:3-Iodo-4-isobutoxybenzoic acid
CAS No:1131614-19-1
MF:C11H13IO3
MW:320.123595952988
CID:1030640
PubChem ID:44828891
Update Time:2025-04-20

3-Iodo-4-isobutoxybenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Iodo-4-isobutoxybenzoic acid
    • 3-iodo-4-(2-methylpropoxy)benzoic acid
    • 3-iodanyl-4-(2-methylpropoxy)benzoic acid
    • AK133723
    • CTK8E2116
    • FT-0658265
    • KB-145125
    • SBB067992
    • DB-060399
    • 3-Iodo-4-isobutoxybenzoicacid
    • AKOS015841696
    • A802866
    • 3-iodo-4-isobutoxy-benzoic acid
    • DTXSID40660980
    • 1131614-19-1
    • Inchi: 1S/C11H13IO3/c1-7(2)6-15-10-4-3-8(11(13)14)5-9(10)12/h3-5,7H,6H2,1-2H3,(H,13,14)
    • InChI Key: AOVWUOOHZQQYPC-UHFFFAOYSA-N
    • SMILES: IC1C=C(C(=O)O)C=CC=1OCC(C)C

Computed Properties

  • Exact Mass: 319.99094g/mol
  • Monoisotopic Mass: 319.99094g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 218
  • 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
  • XLogP3: 3.4
  • Topological Polar Surface Area: 46.5?2

3-Iodo-4-isobutoxybenzoic acid Pricemore >>

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