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89011-09-6 | Benzamide, N-hexyl-2-hydroxy-3,4,5-triiodo-
CAS No: 89011-09-6 Catalog No: AG0044MT MDL No:
Product Description
Catalog Number:
AG0044MT
Chemical Name:
Benzamide, N-hexyl-2-hydroxy-3,4,5-triiodo-
CAS Number:
89011-09-6
Molecular Formula:
C13H16I3NO2
Molecular Weight:
598.9851
IUPAC Name:
N-hexyl-2-hydroxy-3,4,5-triiodobenzamide
InChI:
InChI=1S/C13H16I3NO2/c1-2-3-4-5-6-17-13(19)8-7-9(14)10(15)11(16)12(8)18/h7,18H,2-6H2,1H3,(H,17,19)
InChI Key:
GOICZRMCFHEECX-UHFFFAOYSA-N
SMILES:
CCCCCCNC(=O)c1cc(I)c(c(c1O)I)I
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
598.832g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
598.989g/mol
Monoisotopic Mass:
598.832g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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