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784149-40-2 | Pyridine, 5-(iodomethyl)-2-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-
CAS No: 784149-40-2 Catalog No: AG005LZ3 MDL No:
Product Description
Catalog Number:
AG005LZ3
Chemical Name:
Pyridine, 5-(iodomethyl)-2-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-
CAS Number:
784149-40-2
Molecular Formula:
C18H17IN2O2
Molecular Weight:
420.2442
IUPAC Name:
4-[2-[5-(iodomethyl)pyridin-2-yl]oxyethyl]-5-methyl-2-phenyl-1,3-oxazole
InChI:
InChI=1S/C18H17IN2O2/c1-13-16(21-18(23-13)15-5-3-2-4-6-15)9-10-22-17-8-7-14(11-19)12-20-17/h2-8,12H,9-11H2,1H3
InChI Key:
KLUDVNCBKDPJBN-UHFFFAOYSA-N
SMILES:
ICc1ccc(nc1)OCCc1nc(oc1C)c1ccccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.033g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.25g/mol
Monoisotopic Mass:
420.033g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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