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38749-96-1 | Pyridine, 3-iodo-4-methyl- (9CI)
CAS No: 38749-96-1 Catalog No: AG00CH9G MDL No:MFCD12828240
Product Description
Catalog Number:
AG00CH9G
Chemical Name:
Pyridine, 3-iodo-4-methyl- (9CI)
CAS Number:
38749-96-1
Molecular Formula:
C6H6IN
Molecular Weight:
219.0230
MDL Number:
MFCD12828240
IUPAC Name:
3-iodo-4-methylpyridine
InChI:
InChI=1S/C6H6IN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3
InChI Key:
SMXBHXFTAWZFAU-UHFFFAOYSA-N
SMILES:
Cc1ccncc1I
Properties
Complexity:
74.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.954g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.025g/mol
Monoisotopic Mass:
218.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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