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89011-12-1 | Benzamide, N-cyclohexyl-2-hydroxy-3,4,5-triiodo-
CAS No: 89011-12-1 Catalog No: AG0042UW MDL No:
Product Description
Catalog Number:
AG0042UW
Chemical Name:
Benzamide, N-cyclohexyl-2-hydroxy-3,4,5-triiodo-
CAS Number:
89011-12-1
Molecular Formula:
C13H14I3NO2
Molecular Weight:
596.9692
IUPAC Name:
N-cyclohexyl-2-hydroxy-3,4,5-triiodobenzamide
InChI:
InChI=1S/C13H14I3NO2/c14-9-6-8(12(18)11(16)10(9)15)13(19)17-7-4-2-1-3-5-7/h6-7,18H,1-5H2,(H,17,19)
InChI Key:
BZKAGXBYOZPCSC-UHFFFAOYSA-N
SMILES:
O=C(c1cc(I)c(c(c1O)I)I)NC1CCCCC1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
596.816g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
596.973g/mol
Monoisotopic Mass:
596.816g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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