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89011-06-3 | Benzamide, 2-hydroxy-3,4,5-triiodo-N-pentyl-
CAS No: 89011-06-3 Catalog No: AG0042UY MDL No:
Product Description
Catalog Number:
AG0042UY
Chemical Name:
Benzamide, 2-hydroxy-3,4,5-triiodo-N-pentyl-
CAS Number:
89011-06-3
Molecular Formula:
C12H14I3NO2
Molecular Weight:
584.9585
IUPAC Name:
2-hydroxy-3,4,5-triiodo-N-pentylbenzamide
InChI:
InChI=1S/C12H14I3NO2/c1-2-3-4-5-16-12(18)7-6-8(13)9(14)10(15)11(7)17/h6,17H,2-5H2,1H3,(H,16,18)
InChI Key:
CECUIKSFMSSGDK-UHFFFAOYSA-N
SMILES:
CCCCCNC(=O)c1cc(I)c(c(c1O)I)I
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
584.816g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
584.962g/mol
Monoisotopic Mass:
584.816g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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