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91668-86-9 | Pyridine, 2-iodo-5-methyl-, 1-oxide
CAS No: 91668-86-9 Catalog No: AG006RA3 MDL No:
Product Description
Catalog Number:
AG006RA3
Chemical Name:
Pyridine, 2-iodo-5-methyl-, 1-oxide
CAS Number:
91668-86-9
Molecular Formula:
C6H6INO
Molecular Weight:
235.0224
IUPAC Name:
2-iodo-5-methyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C6H6INO/c1-5-2-3-6(7)8(9)4-5/h2-4H,1H3
InChI Key:
BYMYMHRJDVWXCY-UHFFFAOYSA-N
SMILES:
Cc1ccc([n+](c1)[O-])I
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.949g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.024g/mol
Monoisotopic Mass:
234.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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