Cas no 328104-87-6 (2-(5-Chloro-2-hydroxyphenoxy)acetic acid)

2-(5-Chloro-2-hydroxyphenoxy)acetic acid structure
328104-87-6 structure
Product Name:2-(5-Chloro-2-hydroxyphenoxy)acetic acid
CAS No:328104-87-6
MF:C8H7ClO4
MW:202.59178185463
CID:5757392
PubChem ID:2320220
Update Time:2024-03-01

2-(5-Chloro-2-hydroxyphenoxy)acetic acid Chemical and Physical Properties

Names and Identifiers

    • EN300-1191828
    • starbld0006704
    • AKOS034454873
    • 328104-87-6
    • Enamine_001193
    • CS-0346307
    • Oprea1_554810
    • 2-(5-chloro-2-hydroxyphenoxy)acetic acid
    • Z56788158
    • HMS1397G05
    • Acetic acid, 2-(5-chloro-2-hydroxyphenoxy)-
    • 2-(5-Chloro-2-hydroxyphenoxy)acetic acid
    • Inchi: 1S/C8H7ClO4/c9-5-1-2-6(10)7(3-5)13-4-8(11)12/h1-3,10H,4H2,(H,11,12)
    • InChI Key: KCKXUFAFXCCVNN-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=C(C=1)OCC(=O)O)O

Computed Properties

  • Exact Mass: 202.0032864g/mol
  • Monoisotopic Mass: 202.0032864g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 185
  • 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: 1.8
  • Topological Polar Surface Area: 66.8?2

Experimental Properties

  • Density: 1.501±0.06 g/cm3(Predicted)
  • Melting Point: 157 °C(Solv: water (7732-18-5); water (7732-18-5); methanol (67-56-1))
  • Boiling Point: 374.0±27.0 °C(Predicted)
  • pka: 3.14±0.10(Predicted)

2-(5-Chloro-2-hydroxyphenoxy)acetic acid Pricemore >>

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