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1256818-39-9 | 3-Pyridinol, 6-chloro-4-nitro-, 1-oxide
CAS No: 1256818-39-9 Catalog No: AG000OFA MDL No:
Product Description
Catalog Number:
AG000OFA
Chemical Name:
3-Pyridinol, 6-chloro-4-nitro-, 1-oxide
CAS Number:
1256818-39-9
Molecular Formula:
C5H3ClN2O4
Molecular Weight:
190.5413
IUPAC Name:
6-chloro-4-nitro-1-oxidopyridin-1-ium-3-ol
InChI:
InChI=1S/C5H3ClN2O4/c6-5-1-3(8(11)12)4(9)2-7(5)10/h1-2,9H
InChI Key:
RVXQZISYESTNNB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Cl)[n+](cc1O)[O-]
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.978g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.539g/mol
Monoisotopic Mass:
189.978g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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