Cas no 866768-15-2 (3-Chloro-5-ethoxy-4-(2-ethoxy-2-oxoethoxy)benzoic acid)

3-Chloro-5-ethoxy-4-(2-ethoxy-2-oxoethoxy)benzoic acid structure
866768-15-2 structure
Product Name:3-Chloro-5-ethoxy-4-(2-ethoxy-2-oxoethoxy)benzoic acid
CAS No:866768-15-2
MF:C13H15ClO6
MW:302.707603693008
MDL:MFCD06196588
CID:3060054
PubChem ID:19588684
Update Time:2025-09-22

3-Chloro-5-ethoxy-4-(2-ethoxy-2-oxoethoxy)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Chloro-5-ethoxy-4-(2-ethoxy-2-oxoethoxy)benzoic acid
    • 866768-15-2
    • RJB76815
    • 3-chloro-5-ethoxy-4-[(ethoxycarbonyl)methoxy]benzoic acid
    • EN300-230588
    • AKOS000313154
    • CS-0240922
    • STK350680
    • MDL: MFCD06196588
    • Inchi: 1S/C13H15ClO6/c1-3-18-10-6-8(13(16)17)5-9(14)12(10)20-7-11(15)19-4-2/h5-6H,3-4,7H2,1-2H3,(H,16,17)
    • InChI Key: LRZLGUZVDHSWNM-UHFFFAOYSA-N
    • SMILES: ClC1=CC(C(=O)O)=CC(=C1OCC(=O)OCC)OCC

Computed Properties

  • Exact Mass: 302.0557159Da
  • Monoisotopic Mass: 302.0557159Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 8
  • Complexity: 335
  • 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: 2.7
  • Topological Polar Surface Area: 82.1?2

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