Cas no 1131614-21-5 (3-Iodo-4-(isopropoxymethyl)benzoic acid)

3-Iodo-4-(isopropoxymethyl)benzoic acid structure
1131614-21-5 structure
Product Name:3-Iodo-4-(isopropoxymethyl)benzoic acid
CAS No:1131614-21-5
MF:C11H13IO3
MW:320.123595952988
CID:1030639
PubChem ID:44828847
Update Time:2025-04-20

3-Iodo-4-(isopropoxymethyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Iodo-4-(isopropoxymethyl)benzoic acid
    • 3-iodo-4-(propan-2-yloxymethyl)benzoic acid
    • 3-iodanyl-4-(propan-2-yloxymethyl)benzoic acid
    • AK133724
    • CTK8E2117
    • FT-0655807
    • KB-145108
    • SBB067876
    • DTXSID50660936
    • 3-Iodo-4-{[(propan-2-yl)oxy]methyl}benzoic acid
    • A802867
    • AKOS015841702
    • DB-060400
    • 3-Iodo-4-(isopropoxymethyl)benzoicacid
    • 1131614-21-5
    • Inchi: 1S/C11H13IO3/c1-7(2)15-6-9-4-3-8(11(13)14)5-10(9)12/h3-5,7H,6H2,1-2H3,(H,13,14)
    • InChI Key: QLKYLIUQQCVGJU-UHFFFAOYSA-N
    • SMILES: IC1C=C(C(=O)O)C=CC=1COC(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: 2.5
  • Topological Polar Surface Area: 46.5?2

3-Iodo-4-(isopropoxymethyl)benzoic acid Pricemore >>

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