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Home > Nitro Compounds > 89047-28-9
89047-28-9 | Pyridinium, 1-[(2-nitrophenyl)methyl]-, perchlorate
CAS No: 89047-28-9 Catalog No: AG004219 MDL No:
Product Description
Catalog Number:
AG004219
Chemical Name:
Pyridinium, 1-[(2-nitrophenyl)methyl]-, perchlorate
CAS Number:
89047-28-9
Molecular Formula:
C12H11ClN2O6
Molecular Weight:
314.6785
IUPAC Name:
1-[(2-nitrophenyl)methyl]pyridin-1-ium;perchlorate
InChI:
InChI=1S/C12H11N2O2.ClHO4/c15-14(16)12-7-3-2-6-11(12)10-13-8-4-1-5-9-13;2-1(3,4)5/h1-9H,10H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
JHDBWOBLBWRFNN-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.[O-][N+](=O)c1ccccc1C[n+]1ccccc1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.031g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.678g/mol
Monoisotopic Mass:
314.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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