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89011-03-0 | Benzamide, N-(1,1-dimethylethyl)-2-hydroxy-3,4,5-triiodo-
CAS No: 89011-03-0 Catalog No: AG0043K2 MDL No:
Product Description
Catalog Number:
AG0043K2
Chemical Name:
Benzamide, N-(1,1-dimethylethyl)-2-hydroxy-3,4,5-triiodo-
CAS Number:
89011-03-0
Molecular Formula:
C11H12I3NO2
Molecular Weight:
570.9319
IUPAC Name:
N-tert-butyl-2-hydroxy-3,4,5-triiodobenzamide
InChI:
InChI=1S/C11H12I3NO2/c1-11(2,3)15-10(17)5-4-6(12)7(13)8(14)9(5)16/h4,16H,1-3H3,(H,15,17)
InChI Key:
FFEYFGKLAHPKKI-UHFFFAOYSA-N
SMILES:
O=C(c1cc(I)c(c(c1O)I)I)NC(C)(C)C
Properties
Complexity:
293
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:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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