Cas no 334018-28-9 (2-Chloro-4-ethoxybenzoic Acid)

2-Chloro-4-ethoxybenzoic Acid structure
2-Chloro-4-ethoxybenzoic Acid structure
Product Name:2-Chloro-4-ethoxybenzoic Acid
CAS No:334018-28-9
MF:C9H9ClO3
MW:200.618962049484
MDL:MFCD17256595
CID:2083994
Update Time:2025-04-21

2-Chloro-4-ethoxybenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-4-ethoxybenzoic Acid
    • MDL: MFCD17256595
    • Inchi: 1S/C9H9ClO3/c1-2-13-6-3-4-7(9(11)12)8(10)5-6/h3-5H,2H2,1H3,(H,11,12)
    • InChI Key: TVVYWGVVTSRIDM-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=CC=1C(=O)O)OCC

Computed Properties

  • Exact Mass: 200.024
  • Monoisotopic Mass: 200.024
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 184
  • 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: 46.5A^2

Experimental Properties

  • Density: 1.299±0.06 g/cm3(Predicted)
  • Boiling Point: 315.5±22.0 °C(Predicted)

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