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87350-82-1 | Morpholine, 4,4',4''-(2-iodo-1,3,5-benzenetriyl)tris-
CAS No: 87350-82-1 Catalog No: AG004HGJ MDL No:
Product Description
Catalog Number:
AG004HGJ
Chemical Name:
Morpholine, 4,4',4''-(2-iodo-1,3,5-benzenetriyl)tris-
CAS Number:
87350-82-1
Molecular Formula:
C18H26IN3O3
Molecular Weight:
459.3218
IUPAC Name:
4-(2-iodo-3,5-dimorpholin-4-ylphenyl)morpholine
InChI:
InChI=1S/C18H26IN3O3/c19-18-16(21-3-9-24-10-4-21)13-15(20-1-7-23-8-2-20)14-17(18)22-5-11-25-12-6-22/h13-14H,1-12H2
InChI Key:
GBGKIGMENHEFTH-UHFFFAOYSA-N
SMILES:
Ic1c(cc(cc1N1CCOCC1)N1CCOCC1)N1CCOCC1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.102g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
459.328g/mol
Monoisotopic Mass:
459.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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