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16600-12-7 | Quinolinium, 1-methyl-4-(2-phenyldiazenyl)-, perchlorate (1:1)
CAS No: 16600-12-7 Catalog No: AG007UN1 MDL No:
Product Description
Catalog Number:
AG007UN1
Chemical Name:
Quinolinium, 1-methyl-4-(2-phenyldiazenyl)-, perchlorate (1:1)
CAS Number:
16600-12-7
Molecular Formula:
C16H14ClN3O4
Molecular Weight:
347.7531
IUPAC Name:
(1-methylquinolin-1-ium-4-yl)-phenyldiazene;perchlorate
InChI:
InChI=1S/C16H14N3.ClHO4/c1-19-12-11-15(14-9-5-6-10-16(14)19)18-17-13-7-3-2-4-8-13;2-1(3,4)5/h2-12H,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
KXPVFQQMHUZSPH-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.C[n+]1ccc(c2c1cccc2)N=Nc1ccccc1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.067g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.755g/mol
Monoisotopic Mass:
347.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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