Cas no 194805-14-6 ((1r)-5-bromo-1-methyl-2-trityl-1,3-dihydroisoindole)

(1r)-5-bromo-1-methyl-2-trityl-1,3-dihydroisoindole structure
194805-14-6 structure
Product Name:(1r)-5-bromo-1-methyl-2-trityl-1,3-dihydroisoindole
CAS No:194805-14-6
MF:C28H24BrN
MW:454.400866508484
CID:1387536
PubChem ID:53897714
Update Time:2025-04-20

(1r)-5-bromo-1-methyl-2-trityl-1,3-dihydroisoindole Chemical and Physical Properties

Names and Identifiers

    • (1R)-5-bromo-1-methyl-2-trityl-1,3-dihydroisoindole
    • (1R)-5-Bromo-1-methyl-2-tritylisoindoline
    • 1H-isoind<wbr>
    • LogP
    • (R)-5-bromo-1-methyl-2-tritylisoindoline
    • (1R)-5-Bromo-1-methyl-2-trityl-2,3-dihydro-1H-isoindole
    • (1R)-5-bromo-1-methyl-2-trityl-isoindoline
    • DB-160555
    • (1R)-5-Bromo-1-methyl-2-(triphenylmethyl)-2,3-dihydro-1H-isoindole
    • F74796
    • (1R)-5-bromo-1-methyl-2-(triphenylmethyl)-1,3-dihydroisoindole
    • DTXSID50707491
    • CS-0374783
    • 194805-14-6
    • SCHEMBL2896325
    • 1H-Isoindole, 5-bromo-2,3-dihydro-1-methyl-2-(triphenylmethyl)-, (1R)-
    • (1r)-5-bromo-1-methyl-2-trityl-1,3-dihydroisoindole
    • Inchi: 1S/C28H24BrN/c1-21-27-18-17-26(29)19-22(27)20-30(21)28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-19,21H,20H2,1H3/t21-/m1/s1
    • InChI Key: HUWRJTHKCYGECM-OAQYLSRUSA-N
    • SMILES: BrC1C=CC2=C(C=1)CN([C@@H]2C)C(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 453.10932
  • Monoisotopic Mass: 453.10921g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 4
  • Complexity: 497
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.1
  • Topological Polar Surface Area: 3.2?2

Experimental Properties

  • Density: 1.294±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (3.7E-4 g/L) (25 oC),
  • PSA: 3.24

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