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162046-68-6 | Pyridine, 3-(chloromethyl)-2-methyl-, 1-oxide
CAS No: 162046-68-6 Catalog No: AG001SNY MDL No:
Product Description
Catalog Number:
AG001SNY
Chemical Name:
Pyridine, 3-(chloromethyl)-2-methyl-, 1-oxide
CAS Number:
162046-68-6
Molecular Formula:
C7H8ClNO
Molecular Weight:
157.5975
IUPAC Name:
3-(chloromethyl)-2-methyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C7H8ClNO/c1-6-7(5-8)3-2-4-9(6)10/h2-4H,5H2,1H3
InChI Key:
QZKWJKIXHKHXFJ-UHFFFAOYSA-N
SMILES:
ClCc1ccc[n+](c1C)[O-]
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.029g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.597g/mol
Monoisotopic Mass:
157.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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