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179064-39-2 | Pyridine, 1,2,3,6-tetrahydro-4-[(2-iodophenoxy)methyl]-1-methyl-
CAS No: 179064-39-2 Catalog No: AG0026RB MDL No:
Product Description
Catalog Number:
AG0026RB
Chemical Name:
Pyridine, 1,2,3,6-tetrahydro-4-[(2-iodophenoxy)methyl]-1-methyl-
CAS Number:
179064-39-2
Molecular Formula:
C13H16INO
Molecular Weight:
329.1767
IUPAC Name:
4-[(2-iodophenoxy)methyl]-1-methyl-3,6-dihydro-2H-pyridine
InChI:
InChI=1S/C13H16INO/c1-15-8-6-11(7-9-15)10-16-13-5-3-2-4-12(13)14/h2-6H,7-10H2,1H3
InChI Key:
UMGCSWYBULSQNP-UHFFFAOYSA-N
SMILES:
CN1CCC(=CC1)COc1ccccc1I
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.181g/mol
Monoisotopic Mass:
329.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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