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83768-93-8 | Benzo(a)pyrene-9,10-diol, 6-fluoro-9,10-dihydro-
CAS No: 83768-93-8 Catalog No: AG0055QI MDL No:
Product Description
Catalog Number:
AG0055QI
Chemical Name:
Benzo(a)pyrene-9,10-diol, 6-fluoro-9,10-dihydro-
CAS Number:
83768-93-8
Molecular Formula:
C20H13FO2
Molecular Weight:
304.3144
IUPAC Name:
6-fluoro-9,10-dihydrobenzo[a]pyrene-9,10-diol
InChI:
InChI=1S/C20H13FO2/c21-19-13-7-5-11-3-1-2-10-4-6-12(17(13)16(10)11)18-14(19)8-9-15(22)20(18)23/h1-9,15,20,22-23H
InChI Key:
ZLDRXYJMSDDLEN-UHFFFAOYSA-N
SMILES:
OC1C=Cc2c(C1O)c1ccc3c4c1c(c2F)ccc4ccc3
Properties
Complexity:
506
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:
4
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