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82466-00-0 | 2,3-Dimethylisoquinolin-2-ium perchlorate
CAS No: 82466-00-0 Catalog No: AG01EXK1 MDL No:
Product Description
Catalog Number:
AG01EXK1
Chemical Name:
2,3-Dimethylisoquinolin-2-ium perchlorate
CAS Number:
82466-00-0
Molecular Formula:
C11H12ClNO4
Molecular Weight:
257.6703
IUPAC Name:
2,3-dimethylisoquinolin-2-ium;perchlorate
InChI:
InChI=1S/C11H12N.ClHO4/c1-9-7-10-5-3-4-6-11(10)8-12(9)2;2-1(3,4)5/h3-8H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
ZLJYXQVUADUROY-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1cc2ccccc2c[n+]1C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.67g/mol
Monoisotopic Mass:
257.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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