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83768-97-2 | 9-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol
CAS No: 83768-97-2 Catalog No: AG004X0E MDL No:
Product Description
Catalog Number:
AG004X0E
Chemical Name:
9-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol
CAS Number:
83768-97-2
Molecular Formula:
C20H13FO2
Molecular Weight:
304.3144
IUPAC Name:
9-fluoro-7,8-dihydrobenzo[a]pyrene-7,8-diol
InChI:
InChI=1S/C20H13FO2/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-9,19-20,22-23H
InChI Key:
FAFXVZYQFKXVDO-UHFFFAOYSA-N
SMILES:
FC1=Cc2c(C(C1O)O)cc1c3c2ccc2c3c(cc1)ccc2
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.09g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.32g/mol
Monoisotopic Mass:
304.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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