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2587-01-1 | 2,6-DICHLORO-4-NITROPYRIDINE-N-OXIDE
CAS No: 2587-01-1 Catalog No: AG003G31 MDL No:MFCD00955611
Product Description
Catalog Number:
AG003G31
Chemical Name:
2,6-DICHLORO-4-NITROPYRIDINE-N-OXIDE
CAS Number:
2587-01-1
Molecular Formula:
C5H2Cl2N2O3
Molecular Weight:
208.9870
MDL Number:
MFCD00955611
IUPAC Name:
2,6-dichloro-4-nitro-1-oxidopyridin-1-ium
InChI:
InChI=1S/C5H2Cl2N2O3/c6-4-1-3(9(11)12)2-5(7)8(4)10/h1-2H
InChI Key:
LWOLKOLHQCMQDE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Cl)[n+](c(c1)Cl)[O-]
NSC Number:
136570
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:
1.6
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