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32863-59-5 | 1-Benzylquinolinium perchlorate
CAS No: 32863-59-5 Catalog No: AG01EUY7 MDL No:
Product Description
Catalog Number:
AG01EUY7
Chemical Name:
1-Benzylquinolinium perchlorate
CAS Number:
32863-59-5
Molecular Formula:
C16H14ClNO4
Molecular Weight:
319.7397
IUPAC Name:
1-benzylquinolin-1-ium;perchlorate
InChI:
InChI=1S/C16H14N.ClHO4/c1-2-7-14(8-3-1)13-17-12-6-10-15-9-4-5-11-16(15)17;2-1(3,4)5/h1-12H,13H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
IAVHHOMPTHVWSB-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)C[n+]1cccc2c1cccc2.[O-][Cl](=O)(=O)=O
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.061g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.741g/mol
Monoisotopic Mass:
319.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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