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115927-86-1 | Pyridine, 2-iodo-3-methoxy-, 1-oxide
CAS No: 115927-86-1 Catalog No: AG000H4A MDL No:
Product Description
Catalog Number:
AG000H4A
Chemical Name:
Pyridine, 2-iodo-3-methoxy-, 1-oxide
CAS Number:
115927-86-1
Molecular Formula:
C6H6INO2
Molecular Weight:
251.0218
IUPAC Name:
2-iodo-3-methoxy-1-oxidopyridin-1-ium
InChI:
InChI=1S/C6H6INO2/c1-10-5-3-2-4-8(9)6(5)7/h2-4H,1H3
InChI Key:
OTKYRWZRXNHMBP-UHFFFAOYSA-N
SMILES:
COc1ccc[n+](c1I)[O-]
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.944g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.023g/mol
Monoisotopic Mass:
250.944g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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