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89167-37-3 | Pyridine,4-chloro-3-nitro-, 1-oxide
CAS No: 89167-37-3 Catalog No: AG003WLY MDL No:
Product Description
Catalog Number:
AG003WLY
Chemical Name:
Pyridine,4-chloro-3-nitro-, 1-oxide
CAS Number:
89167-37-3
Molecular Formula:
C5H3ClN2O3
Molecular Weight:
174.5419
IUPAC Name:
4-chloro-3-nitro-1-oxidopyridin-1-ium
InChI:
InChI=1S/C5H3ClN2O3/c6-4-1-2-7(9)3-5(4)8(10)11/h1-3H
InChI Key:
IGLDADAPDSPFDD-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc(c(c1)[N+](=O)[O-])Cl
NSC Number:
118084
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.983g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.54g/mol
Monoisotopic Mass:
173.983g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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