Cas no 71171-92-1 (Benzo[a]pyrene,8-fluoro-)

Benzo[a]pyrene,8-fluoro- structure
Benzo[a]pyrene,8-fluoro- structure
Product Name:Benzo[a]pyrene,8-fluoro-
CAS No:71171-92-1
MF:C20H11F
MW:270.299748659134
CID:570937
PubChem ID:51254
Update Time:2025-04-19

Benzo[a]pyrene,8-fluoro- Chemical and Physical Properties

Names and Identifiers

    • Benzo[a]pyrene,8-fluoro-
    • 8-fluorobenzo(a)pyrene
    • 8-fluorobenzo[a]pyrene
    • 8-Fluorobenzo[pqr]tetraphene
    • NSC-623137
    • BRN 1980312
    • NSC623137
    • CHEMBL1991507
    • DTXSID20221356
    • BENZO(a)PYRENE, 8-FLUORO-
    • 71171-92-1
    • NCI60_006901
    • Inchi: 1S/C20H11F/c21-16-7-9-17-15(11-16)10-14-5-4-12-2-1-3-13-6-8-18(17)20(14)19(12)13/h1-11H
    • InChI Key: NGTRARPAYZCLIC-UHFFFAOYSA-N
    • SMILES: FC1C=CC2=C(C=1)C=C1C=CC3=CC=CC4=CC=C2C1=C43

Computed Properties

  • Exact Mass: 270.08453
  • Monoisotopic Mass: 270.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 0
  • Complexity: 405
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 6.4
  • Topological Polar Surface Area: 0A^2

Experimental Properties

  • Density: 1.349
  • Boiling Point: 470.4°C at 760 mmHg
  • Flash Point: 203.5°C
  • Refractive Index: 1.86
  • PSA: 0
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