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113802-00-9 | Quinolinium, 2-[2-(2-nitrophenyl)ethenyl]-1-phenyl-, perchlorate (1:1)
CAS No: 113802-00-9 Catalog No: AG0009R4 MDL No:
Product Description
Catalog Number:
AG0009R4
Chemical Name:
Quinolinium, 2-[2-(2-nitrophenyl)ethenyl]-1-phenyl-, perchlorate (1:1)
CAS Number:
113802-00-9
Molecular Formula:
C23H17ClN2O6
Molecular Weight:
452.8439
IUPAC Name:
2-[2-(2-nitrophenyl)ethenyl]-1-phenylquinolin-1-ium;perchlorate
InChI:
InChI=1S/C23H17N2O2.ClHO4/c26-25(27)23-13-7-5-9-19(23)15-17-21-16-14-18-8-4-6-12-22(18)24(21)20-10-2-1-3-11-20;2-1(3,4)5/h1-17H;(H,2,3,4,5)/q+1;/p-1
InChI Key:
FTBXHZDHYFVCDI-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.[O-][N+](=O)c1ccccc1C=Cc1ccc2c([n+]1c1ccccc1)cccc2
Properties
Complexity:
619
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.078g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.847g/mol
Monoisotopic Mass:
452.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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