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89010-97-9 | Benzamide, N-butyl-2-hydroxy-3,4,5-triiodo-
CAS No: 89010-97-9 Catalog No: AG0043K5 MDL No:
Product Description
Catalog Number:
AG0043K5
Chemical Name:
Benzamide, N-butyl-2-hydroxy-3,4,5-triiodo-
CAS Number:
89010-97-9
Molecular Formula:
C11H12I3NO2
Molecular Weight:
570.9319
IUPAC Name:
N-butyl-2-hydroxy-3,4,5-triiodobenzamide
InChI:
InChI=1S/C11H12I3NO2/c1-2-3-4-15-11(17)6-5-7(12)8(13)9(14)10(6)16/h5,16H,2-4H2,1H3,(H,15,17)
InChI Key:
WVDQISKGXBIQQK-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1cc(I)c(c(c1O)I)I
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
570.8g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
570.935g/mol
Monoisotopic Mass:
570.8g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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