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Home > Fluorides > 150765-66-5
150765-66-5 | Benzo[a]pyrene, 1-fluoro- (9CI)
CAS No: 150765-66-5 Catalog No: AG001MU5 MDL No:
Product Description
Catalog Number:
AG001MU5
Chemical Name:
Benzo[a]pyrene, 1-fluoro- (9CI)
CAS Number:
150765-66-5
Molecular Formula:
C20H11F
Molecular Weight:
270.2997
IUPAC Name:
1-fluorobenzo[a]pyrene
InChI:
InChI=1S/C20H11F/c21-18-10-7-12-5-6-14-11-13-3-1-2-4-15(13)16-8-9-17(18)19(12)20(14)16/h1-11H
InChI Key:
VHALAGXODIENSE-UHFFFAOYSA-N
SMILES:
Fc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.306g/mol
Monoisotopic Mass:
270.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
Literature
| Title | Journal |
|---|---|
| Fluorobenzo[a]pyrenes as probes of the mechanism of cytochrome P450-catalyzed oxygen transfer in aromatic oxygenations. | Free radical biology & medicine 20030315 |
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