Cas no 134698-67-2 (9-Phenanthrenemethanol, 3-bromo-)

9-Phenanthrenemethanol, 3-bromo- structure
134698-67-2 structure
Product Name:9-Phenanthrenemethanol, 3-bromo-
CAS No:134698-67-2
MF:C15H11BrO
MW:287.151243448257
CID:1243282
PubChem ID:15159129
Update Time:2025-04-20

9-Phenanthrenemethanol, 3-bromo- Chemical and Physical Properties

Names and Identifiers

    • 9-Phenanthrenemethanol, 3-bromo-
    • (3-bromophenanthren-9-yl)methanol
    • 134698-67-2
    • 3-bromo-9-(hydroxymethyl) phenanthrene
    • 3-Bromo-9-(hydroxymethyl)-phenanthrene
    • SCHEMBL9475347
    • 3-bromo-9-(hydroxymethyl)phenanthrene
    • ZSRBGYRWMNGVAL-UHFFFAOYSA-N
    • DTXSID50569314
    • Inchi: 1S/C15H11BrO/c16-12-6-5-10-7-11(9-17)13-3-1-2-4-14(13)15(10)8-12/h1-8,17H,9H2
    • InChI Key: ZSRBGYRWMNGVAL-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2=CC(CO)=C3C=CC=CC3=C2C=1

Computed Properties

  • Exact Mass: 285.99933
  • Monoisotopic Mass: 285.99933g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 268
  • 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: 4.2
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23
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