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88054-34-6 | 8-fluorobenzo[pqr]tetraphene-3,6-dione
CAS No: 88054-34-6 Catalog No: AG004LO9 MDL No:
Product Description
Catalog Number:
AG004LO9
Chemical Name:
8-fluorobenzo[pqr]tetraphene-3,6-dione
CAS Number:
88054-34-6
Molecular Formula:
C20H9FO2
Molecular Weight:
300.2827
IUPAC Name:
8-fluorobenzo[a]pyrene-3,6-dione
InChI:
InChI=1S/C20H9FO2/c21-11-3-5-12-13-4-1-10-2-8-17(22)14-6-7-15(19(13)18(10)14)20(23)16(12)9-11/h1-9H
InChI Key:
YHYSKBPWHCUBID-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)C(=O)c1c3c2ccc2c3c(cc1)C(=O)C=C2
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.059g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.288g/mol
Monoisotopic Mass:
300.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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