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122307-41-9 | Pyridine, 4-chloro-3-methoxy-2-methyl-, 1-oxide
CAS No: 122307-41-9 Catalog No: AG001738 MDL No:MFCD03093995
Product Description
Catalog Number:
AG001738
Chemical Name:
Pyridine, 4-chloro-3-methoxy-2-methyl-, 1-oxide
CAS Number:
122307-41-9
Molecular Formula:
C7H8ClNO2
Molecular Weight:
173.5969
MDL Number:
MFCD03093995
IUPAC Name:
4-chloro-3-methoxy-2-methyl-1-oxidopyridin-1-ium
InChI:
InChI=1S/C7H8ClNO2/c1-5-7(11-2)6(8)3-4-9(5)10/h3-4H,1-2H3
InChI Key:
TWXMQDRFBLSXFN-UHFFFAOYSA-N
SMILES:
COc1c(Cl)cc[n+](c1C)[O-]
EC Number:
602-491-2
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.024g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.596g/mol
Monoisotopic Mass:
173.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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