Cas no 1131614-73-7 (Methyl 3-iodo-4-morpholinobenzoate)

Methyl 3-iodo-4-morpholinobenzoate structure
1131614-73-7 structure
Product Name:Methyl 3-iodo-4-morpholinobenzoate
CAS No:1131614-73-7
MF:C12H14INO3
MW:347.14893579483
CID:1030596
PubChem ID:44828989
Update Time:2025-04-20

Methyl 3-iodo-4-morpholinobenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-iodo-4-morpholinobenzoate
    • methyl 3-iodo-4-morpholin-4-ylbenzoate
    • DB-060434
    • AKOS015852011
    • Methyl 3-iodo-4-(morpholin-4-yl)benzoate
    • methyl 3-iodo-4-morpholino-benzoate
    • SCHEMBL16869527
    • A802915
    • 1131614-73-7
    • DTXSID20661076
    • Methyl3-iodo-4-morpholinobenzoate
    • Inchi: 1S/C12H14INO3/c1-16-12(15)9-2-3-11(10(13)8-9)14-4-6-17-7-5-14/h2-3,8H,4-7H2,1H3
    • InChI Key: PKNNUCZHEQOFGI-UHFFFAOYSA-N
    • SMILES: IC1C=C(C(=O)OC)C=CC=1N1CCOCC1

Computed Properties

  • Exact Mass: 347.002
  • Monoisotopic Mass: 347.002
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 269
  • 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
  • Topological Polar Surface Area: 38.8A^2
  • XLogP3: 2.2

Methyl 3-iodo-4-morpholinobenzoate Pricemore >>

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