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87789-45-5 | Pyridine, 2-[4-(1,1-dimethylethoxy)phenoxy]-5-iodo-
CAS No: 87789-45-5 Catalog No: AG004I86 MDL No:
Product Description
Catalog Number:
AG004I86
Chemical Name:
Pyridine, 2-[4-(1,1-dimethylethoxy)phenoxy]-5-iodo-
CAS Number:
87789-45-5
Molecular Formula:
C15H16INO2
Molecular Weight:
369.1975
IUPAC Name:
5-iodo-2-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyridine
InChI:
InChI=1S/C15H16INO2/c1-15(2,3)19-13-7-5-12(6-8-13)18-14-9-4-11(16)10-17-14/h4-10H,1-3H3
InChI Key:
YZJXXUOYKCCXDU-UHFFFAOYSA-N
SMILES:
Ic1ccc(nc1)Oc1ccc(cc1)OC(C)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.023g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.202g/mol
Monoisotopic Mass:
369.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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