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Home > Nitro Compounds > 141214-14-4
141214-14-4 | 4,4'-Bipyridinium, 1-[(4-nitrophenyl)methyl]-1'-(phenylmethyl)-, chloride (1:2)
CAS No: 141214-14-4 Catalog No: AG001G2R MDL No:
Product Description
Catalog Number:
AG001G2R
Chemical Name:
4,4'-Bipyridinium, 1-[(4-nitrophenyl)methyl]-1'-(phenylmethyl)-, chloride (1:2)
CAS Number:
141214-14-4
Molecular Formula:
C24H21Cl2N3O2
Molecular Weight:
454.3484
IUPAC Name:
1-benzyl-4-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium;dichloride
InChI:
InChI=1S/C24H21N3O2.2ClH/c28-27(29)24-8-6-21(7-9-24)19-26-16-12-23(13-17-26)22-10-14-25(15-11-22)18-20-4-2-1-3-5-20;;/h1-17H,18-19H2;2*1H/q+2;;/p-2
InChI Key:
INUFXIRZQGKRPQ-UHFFFAOYSA-L
SMILES:
[O-][N+](=O)c1ccc(cc1)C[n+]1ccc(cc1)c1cc[n+](cc1)Cc1ccccc1.[Cl-].[Cl-]
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.101g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.351g/mol
Monoisotopic Mass:
453.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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