Cas no 63834-59-3 (3-(4-bromophenoxy)propane-1,2-diol)

3-(4-bromophenoxy)propane-1,2-diol structure
63834-59-3 structure
Product Name:3-(4-bromophenoxy)propane-1,2-diol
CAS No:63834-59-3
MF:C9H11BrO3
MW:247.085842370987
CID:960952
PubChem ID:113926
Update Time:2025-04-19

3-(4-bromophenoxy)propane-1,2-diol Chemical and Physical Properties

Names and Identifiers

    • 3-(4-bromophenoxy)propane-1,2-diol
    • 1,2-Propanediol, 3-(p-bromophenoxy)-
    • 3-(p-Bromophenoxy)-1,2-propanediol
    • BRN 2260311
    • NCI60_011924
    • NS00054396
    • 4-06-00-01049 (Beilstein Handbook Reference)
    • 3-(4-Bromophenoxy)-1,2-propanediol
    • AKOS017547897
    • NSC-635830
    • 63834-59-3
    • DB-314520
    • NSC635830
    • DTXSID60980455
    • AS-30619
    • MFCD01698162
    • SCHEMBL1496588
    • EINECS 264-503-9
    • rac-3-(4-bromophenyloxy)propane-1,2-diol
    • CHEMBL1994750
    • CS-0322746
    • MDL: MFCD01698162
    • Inchi: 1S/C9H11BrO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2
    • InChI Key: FZGZDDRZAZBANV-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)OCC(CO)O

Computed Properties

  • Exact Mass: 245.98913
  • Monoisotopic Mass: 245.98916g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 135
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 49.7?2

Experimental Properties

  • PSA: 49.69

3-(4-bromophenoxy)propane-1,2-diol Pricemore >>

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