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5421-92-1 | [1,4'-Bipyridin]-1-ium chloride hydrochloride
CAS No: 5421-92-1 Catalog No: AG003D12 MDL No:MFCD04038041
Product Description
Catalog Number:
AG003D12
Chemical Name:
[1,4'-Bipyridin]-1-ium chloride hydrochloride
CAS Number:
5421-92-1
Molecular Formula:
C10H10Cl2N2
Molecular Weight:
229.1058
MDL Number:
MFCD04038041
IUPAC Name:
4-pyridin-1-ium-1-ylpyridine;chloride;hydrochloride
InChI:
InChI=1S/C10H9N2.2ClH/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;;/h1-9H;2*1H/q+1;;/p-1
InChI Key:
QZOFFMRDIRXGKJ-UHFFFAOYSA-M
SMILES:
c1cc[n+](cc1)c1ccncc1.[Cl-].Cl
EC Number:
226-543-5
NSC Number:
1909
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.022g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.104g/mol
Monoisotopic Mass:
228.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
16.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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