Cas no 70264-72-1 (Phosphonium, [(3-methoxy-2-methylphenyl)methyl]triphenyl-, bromide)

Phosphonium, [(3-methoxy-2-methylphenyl)methyl]triphenyl-, bromide structure
70264-72-1 structure
Product Name:Phosphonium, [(3-methoxy-2-methylphenyl)methyl]triphenyl-, bromide
CAS No:70264-72-1
MF:C27H26BrOP
MW:477.372507572174
CID:547511
PubChem ID:71404988
Update Time:2025-04-19

Phosphonium, [(3-methoxy-2-methylphenyl)methyl]triphenyl-, bromide Chemical and Physical Properties

Names and Identifiers

    • Phosphonium, [(3-methoxy-2-methylphenyl)methyl]triphenyl-, bromide
    • (3-methoxy-2-methylphenyl)methyl-triphenylphosphanium,bromide
    • 70264-72-1
    • DTXSID60825796
    • [(3-Methoxy-2-methylphenyl)methyl](triphenyl)phosphanium bromide
    • Inchi: 1S/C27H26OP.BrH/c1-22-23(13-12-20-27(22)28-2)21-29(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26;/h3-20H,21H2,1-2H3;1H/q+1;/p-1
    • InChI Key: ZXLPKHBVOLEBDY-UHFFFAOYSA-M
    • SMILES: [Br-].[P+](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)CC1C=CC=C(C=1C)OC

Computed Properties

  • Exact Mass: 449.887
  • Monoisotopic Mass: 476.09047g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 6
  • Complexity: 427
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23
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