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18344-58-6 | Pyridine, 3,5-dichloro-4-nitro-, 1-oxide
CAS No: 18344-58-6 Catalog No: AG0027LU MDL No:
Product Description
Catalog Number:
AG0027LU
Chemical Name:
Pyridine, 3,5-dichloro-4-nitro-, 1-oxide
CAS Number:
18344-58-6
Molecular Formula:
C5H2Cl2N2O3
Molecular Weight:
208.9870
IUPAC Name:
3,5-dichloro-4-nitro-1-oxidopyridin-1-ium
InChI:
InChI=1S/C5H2Cl2N2O3/c6-3-1-8(10)2-4(7)5(3)9(11)12/h1-2H
InChI Key:
MEGMWLJJEXNVOS-UHFFFAOYSA-N
SMILES:
[O-][n+]1cc(Cl)c(c(c1)Cl)[N+](=O)[O-]
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.944g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.982g/mol
Monoisotopic Mass:
207.944g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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