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Home > Fluorides > 113600-15-0
113600-15-0 | Benzo[k]fluoranthene, 9-fluoro-
CAS No: 113600-15-0 Catalog No: AG00093Z MDL No:
Product Description
Catalog Number:
AG00093Z
Chemical Name:
Benzo[k]fluoranthene, 9-fluoro-
CAS Number:
113600-15-0
Molecular Formula:
C20H11F
Molecular Weight:
270.2997
IUPAC Name:
9-fluorobenzo[k]fluoranthene
InChI:
InChI=1S/C20H11F/c21-15-8-7-13-10-18-16-5-1-3-12-4-2-6-17(20(12)16)19(18)11-14(13)9-15/h1-11H
InChI Key:
IAGJJNFRAZJPFP-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)cc1c(c2)c2c3c1cccc3ccc2
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:
6.5
Literature
| Title | Journal |
|---|---|
| Characterization of monofluorinated polycyclic aromatic compounds by 1H, 13C and 19F NMR spectroscopy. | Magnetic resonance in chemistry : MRC 20050701 |
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