Cas no 101386-50-9 (2-bromo-1-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethanone)

2-bromo-1-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethanone structure
101386-50-9 structure
Product Name:2-bromo-1-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethanone
CAS No:101386-50-9
MF:C10H11BrO3
MW:259.096542596817
CID:1128911
PubChem ID:13588715
Update Time:2025-04-20

2-bromo-1-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethanone Chemical and Physical Properties

Names and Identifiers

    • 2-bromo-1-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethanone
    • SCHEMBL10477831
    • DTXSID30544503
    • 2-Bromo-1-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethan-1-one
    • 101386-50-9
    • Ethanone, 2-bromo-1-[4-hydroxy-3-(2-hydroxyethyl)phenyl]-
    • Inchi: 1S/C10H11BrO3/c11-6-10(14)7-1-2-9(13)8(5-7)3-4-12/h1-2,5,12-13H,3-4,6H2
    • InChI Key: GXQSMITUBDTJAG-UHFFFAOYSA-N
    • SMILES: BrCC(C1=CC=C(C(=C1)CCO)O)=O

Computed Properties

  • Exact Mass: 257.98913
  • Monoisotopic Mass: 257.98916g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 196
  • 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: 57.5?2

Experimental Properties

  • PSA: 57.53
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