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83768-94-9

83768-94-9 | 7-fluoro-9,10-dihydrobenzo(a)pyrene-9,10-diol

CAS No: 83768-94-9 Catalog No: AG004SOR MDL No:

Product Description

Catalog Number:
AG004SOR
Chemical Name:
7-fluoro-9,10-dihydrobenzo(a)pyrene-9,10-diol
CAS Number:
83768-94-9
Molecular Formula:
C20H13FO2
Molecular Weight:
304.3144
IUPAC Name:
7-fluoro-9,10-dihydrobenzo[a]pyrene-9,10-diol
InChI:
InChI=1S/C20H13FO2/c21-15-9-16(22)20(23)19-13-7-6-11-3-1-2-10-4-5-12(8-14(15)19)18(13)17(10)11/h1-9,16,20,22-23H
InChI Key:
JUIJSYFVSJYFGM-UHFFFAOYSA-N
SMILES:
OC1C=C(F)c2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3

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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