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163129-79-1 | Pyridine, 2-iodo-5-methoxy-
CAS No: 163129-79-1 Catalog No: AG001TST MDL No:MFCD02259696
Product Description
Catalog Number:
AG001TST
Chemical Name:
Pyridine, 2-iodo-5-methoxy-
CAS Number:
163129-79-1
Molecular Formula:
C6H6INO
Molecular Weight:
235.0224
MDL Number:
MFCD02259696
IUPAC Name:
2-iodo-5-methoxypyridine
InChI:
InChI=1S/C6H6INO/c1-9-5-2-3-6(7)8-4-5/h2-4H,1H3
InChI Key:
PTKTXYDJIOBEOD-UHFFFAOYSA-N
SMILES:
COc1ccc(nc1)I
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:
234.949g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.024g/mol
Monoisotopic Mass:
234.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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