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82401-08-9 | Pyridine, 3-(chloromethyl)-, 1-oxide
CAS No: 82401-08-9 Catalog No: AG004WZF MDL No:
Product Description
Catalog Number:
AG004WZF
Chemical Name:
Pyridine, 3-(chloromethyl)-, 1-oxide
CAS Number:
82401-08-9
Molecular Formula:
C6H6ClNO
Molecular Weight:
143.5709
IUPAC Name:
3-(chloromethyl)-1-oxidopyridin-1-ium
InChI:
InChI=1S/C6H6ClNO/c7-4-6-2-1-3-8(9)5-6/h1-3,5H,4H2
InChI Key:
UCJYEZKDLOGBOD-UHFFFAOYSA-N
SMILES:
ClCc1ccc[n+](c1)[O-]
Properties
Complexity:
89.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.014g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.57g/mol
Monoisotopic Mass:
143.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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