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116208-76-5

116208-76-5 | Benzo[k]fluoranthene-8,9-diol, 11-fluoro-8,9-dihydro-

CAS No: 116208-76-5 Catalog No: AG000BWV MDL No:

Product Description

Catalog Number:
AG000BWV
Chemical Name:
Benzo[k]fluoranthene-8,9-diol, 11-fluoro-8,9-dihydro-
CAS Number:
116208-76-5
Molecular Formula:
C20H13FO2
Molecular Weight:
304.3144
IUPAC Name:
11-fluoro-8,9-dihydrobenzo[k]fluoranthene-8,9-diol
InChI:
InChI=1S/C20H13FO2/c21-17-9-18(22)20(23)16-8-14-12-6-2-4-10-3-1-5-11(19(10)12)13(14)7-15(16)17/h1-9,18,20,22-23H
InChI Key:
BGWPGVLCSMMXPT-UHFFFAOYSA-N
SMILES:
OC1C=C(F)c2c(C1O)cc1c(c2)c2c3c1cccc3ccc2

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:
3.2  

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