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88054-30-2 | (4r,5r)-8-fluoro-4,5-dihydrobenzo[pqr]tetraphene-4,5-diol
CAS No: 88054-30-2 Catalog No: AG004LOA MDL No:
Product Description
Catalog Number:
AG004LOA
Chemical Name:
(4r,5r)-8-fluoro-4,5-dihydrobenzo[pqr]tetraphene-4,5-diol
CAS Number:
88054-30-2
Molecular Formula:
C20H13FO2
Molecular Weight:
304.3144
IUPAC Name:
(4R,5R)-8-fluoro-4,5-dihydrobenzo[a]pyrene-4,5-diol
InChI:
InChI=1S/C20H13FO2/c21-12-5-7-13-11(8-12)9-16-18-14(13)6-4-10-2-1-3-15(17(10)18)19(22)20(16)23/h1-9,19-20,22-23H/t19-,20-/m1/s1
InChI Key:
OJPZMIIQWSFMEA-WOJBJXKFSA-N
SMILES:
Fc1ccc2c(c1)cc1c3c2ccc2c3c([C@H]([C@@H]1O)O)ccc2
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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