Cas no 76466-34-7 (Pyrene, 4,5,9,10-tetrabromo-2,7-bis(1,1-dimethylethyl)-)

Pyrene, 4,5,9,10-tetrabromo-2,7-bis(1,1-dimethylethyl)- structure
76466-34-7 structure
Product Name:Pyrene, 4,5,9,10-tetrabromo-2,7-bis(1,1-dimethylethyl)-
CAS No:76466-34-7
MF:C24H22Br4
MW:630.047483921051
CID:537745
PubChem ID:10532051
Update Time:2025-04-19

Pyrene, 4,5,9,10-tetrabromo-2,7-bis(1,1-dimethylethyl)- Chemical and Physical Properties

Names and Identifiers

    • Pyrene, 4,5,9,10-tetrabromo-2,7-bis(1,1-dimethylethyl)-
    • 4,5,9,10-tetrabromo-2,7-ditert-butylpyrene
    • AGN-PC-0N62XM
    • SCHEMBL10010786
    • DTXSID20441294
    • 4,5,9,10-tetrabromo-2,7-di-t-butylpyrene
    • 76466-34-7
    • Inchi: 1S/C24H22Br4/c1-23(2,3)11-7-13-17-14(8-11)20(26)22(28)16-10-12(24(4,5)6)9-15(18(16)17)21(27)19(13)25/h7-10H,1-6H3
    • InChI Key: KBEKICQYZXSFSA-UHFFFAOYSA-N
    • SMILES: BrC1=C(C2C=C(C=C3C(=C(C4=CC(=CC1=C4C=23)C(C)(C)C)Br)Br)C(C)(C)C)Br

Computed Properties

  • Exact Mass: 629.84140g/mol
  • Monoisotopic Mass: 625.84550g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 2
  • Complexity: 502
  • 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: 11.1
  • Topological Polar Surface Area: 0?2
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