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89562-58-3 | Benzo[f]quinoline, 3-(4-fluorophenyl)-, compd. with 2,4,6-trinitrophenol(1:1)
CAS No: 89562-58-3 Catalog No: AG003Y7Q MDL No:
Product Description
Catalog Number:
AG003Y7Q
Chemical Name:
Benzo[f]quinoline, 3-(4-fluorophenyl)-, compd. with 2,4,6-trinitrophenol(1:1)
CAS Number:
89562-58-3
Molecular Formula:
C25H15FN4O7
Molecular Weight:
502.4076
IUPAC Name:
3-(4-fluorophenyl)benzo[f]quinoline;2,4,6-trinitrophenol
InChI:
InChI=1S/C19H12FN.C6H3N3O7/c20-15-8-5-14(6-9-15)18-12-10-17-16-4-2-1-3-13(16)7-11-19(17)21-18;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-12H;1-2,10H
InChI Key:
CWCWYAFBSBXKJU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.Fc1ccc(cc1)c1ccc2c(n1)ccc1c2cccc1
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
502.092g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
502.414g/mol
Monoisotopic Mass:
502.092g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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