Cas no 1131587-16-0 (Methyl 2-butyramido-5-iodobenzoate)

Methyl 2-butyramido-5-iodobenzoate structure
1131587-16-0 structure
Product Name:Methyl 2-butyramido-5-iodobenzoate
CAS No:1131587-16-0
MF:C12H14INO3
MW:347.14893579483
CID:1030711
PubChem ID:44828956
Update Time:2025-04-20

Methyl 2-butyramido-5-iodobenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-butyramido-5-iodobenzoate
    • methyl 2-(butanoylamino)-5-iodobenzoate
    • DB-370742
    • 1131587-16-0
    • AKOS015842897
    • Methyl 2-butanamido-5-iodobenzoate
    • methyl 2-(butanoylamino)-5-iodo-benzoate
    • A802735
    • 5-iodo-2-(1-oxobutylamino)benzoic acid methyl ester
    • DTXSID90661043
    • Methyl2-butyramido-5-iodobenzoate
    • Inchi: 1S/C12H14INO3/c1-3-4-11(15)14-10-6-5-8(13)7-9(10)12(16)17-2/h5-7H,3-4H2,1-2H3,(H,14,15)
    • InChI Key: QDXGNOXKZUNUDT-UHFFFAOYSA-N
    • SMILES: IC1C=CC(=C(C(=O)OC)C=1)NC(CCC)=O

Computed Properties

  • Exact Mass: 347.00184g/mol
  • Monoisotopic Mass: 347.00184g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 283
  • 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: 3.1
  • Topological Polar Surface Area: 55.4?2

Methyl 2-butyramido-5-iodobenzoate Pricemore >>

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