Cas no 441356-47-4 (methyl 2-(5-chloro-2-hydroxyphenyl)acetate)

methyl 2-(5-chloro-2-hydroxyphenyl)acetate structure
441356-47-4 structure
Product Name:methyl 2-(5-chloro-2-hydroxyphenyl)acetate
CAS No:441356-47-4
MF:C9H9ClO3
MW:200.618962049484
CID:2147058
PubChem ID:17861402
Update Time:2025-04-21

methyl 2-(5-chloro-2-hydroxyphenyl)acetate Chemical and Physical Properties

Names and Identifiers

    • methyl 2-(5-chloro-2-hydroxyphenyl)acetate
    • DB-308205
    • methyl 5-chloro-2-hydroxyphenylacetate
    • 441356-47-4
    • MFCD18398944
    • WS-02457
    • MYVKSIPPDPQMHQ-UHFFFAOYSA-N
    • E72161
    • starbld0005651
    • SCHEMBL4034721
    • Methyl (5-chloro-2-hydroxyphenyl)acetate
    • Inchi: 1S/C9H9ClO3/c1-13-9(12)5-6-4-7(10)2-3-8(6)11/h2-4,11H,5H2,1H3
    • InChI Key: MYVKSIPPDPQMHQ-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=C(C=1)CC(=O)OC)O

Computed Properties

  • Exact Mass: 200.0240218g/mol
  • Monoisotopic Mass: 200.0240218g/mol
  • 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: 1.6
  • Topological Polar Surface Area: 46.5?2

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