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Home > Pyridines > 100922-79-0
100922-79-0 | Pyridinium, 1-(4-cyanophenyl)-, chloride (1:1)
CAS No: 100922-79-0 Catalog No: AG00037K MDL No:
Product Description
Catalog Number:
AG00037K
Chemical Name:
Pyridinium, 1-(4-cyanophenyl)-, chloride (1:1)
CAS Number:
100922-79-0
Molecular Formula:
C12H9ClN2
Molecular Weight:
216.6663
IUPAC Name:
4-pyridin-1-ium-1-ylbenzonitrile;chloride
InChI:
InChI=1S/C12H9N2.ClH/c13-10-11-4-6-12(7-5-11)14-8-2-1-3-9-14;/h1-9H;1H/q+1;/p-1
InChI Key:
SNZNMJBSLZNQJH-UHFFFAOYSA-M
SMILES:
N#Cc1ccc(cc1)[n+]1ccccc1.[Cl-]
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.668g/mol
Monoisotopic Mass:
216.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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