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185620-25-1 | Acetamide, N,N'-[5-[(acetyloxy)methyl]-2,4,6-triiodo-1,3-phenylene]bis-
CAS No: 185620-25-1 Catalog No: AG007SYJ MDL No:
Product Description
Catalog Number:
AG007SYJ
Chemical Name:
Acetamide, N,N'-[5-[(acetyloxy)methyl]-2,4,6-triiodo-1,3-phenylene]bis-
CAS Number:
185620-25-1
Molecular Formula:
C13H13I3N2O4
Molecular Weight:
641.9667
IUPAC Name:
(3,5-diacetamido-2,4,6-triiodophenyl)methyl acetate
InChI:
InChI=1S/C13H13I3N2O4/c1-5(19)17-12-9(14)8(4-22-7(3)21)10(15)13(11(12)16)18-6(2)20/h4H2,1-3H3,(H,17,19)(H,18,20)
InChI Key:
DJICBYKZWZNSIO-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1c(I)c(NC(=O)C)c(c(c1I)NC(=O)C)I
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
641.801g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
641.97g/mol
Monoisotopic Mass:
641.801g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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