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Home > Pyridines > 856959-07-4
856959-07-4 | 1-(Cyanomethyl)pyridin-1-ium perchlorate
CAS No: 856959-07-4 Catalog No: AG01EXTV MDL No:
Product Description
Catalog Number:
AG01EXTV
Chemical Name:
1-(Cyanomethyl)pyridin-1-ium perchlorate
CAS Number:
856959-07-4
Molecular Formula:
C7H7ClN2O4
Molecular Weight:
218.5945
IUPAC Name:
2-pyridin-1-ium-1-ylacetonitrile;perchlorate
InChI:
InChI=1S/C7H7N2.ClHO4/c8-4-7-9-5-2-1-3-6-9;2-1(3,4)5/h1-3,5-6H,7H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
YGDMFGVVUNNGNF-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.N#CC[n+]1ccccc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.009g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.593g/mol
Monoisotopic Mass:
218.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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