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89010-99-1 | Benzamide, 2-hydroxy-3,5-diiodo-N-(1-methylpropyl)-
CAS No: 89010-99-1 Catalog No: AG0044MW MDL No:
Product Description
Catalog Number:
AG0044MW
Chemical Name:
Benzamide, 2-hydroxy-3,5-diiodo-N-(1-methylpropyl)-
CAS Number:
89010-99-1
Molecular Formula:
C11H13I2NO2
Molecular Weight:
445.0354
IUPAC Name:
N-butan-2-yl-2-hydroxy-3,5-diiodobenzamide
InChI:
InChI=1S/C11H13I2NO2/c1-3-6(2)14-11(16)8-4-7(12)5-9(13)10(8)15/h4-6,15H,3H2,1-2H3,(H,14,16)
InChI Key:
UPCPMJCDCIMASX-UHFFFAOYSA-N
SMILES:
CCC(NC(=O)c1cc(I)cc(c1O)I)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.904g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
445.039g/mol
Monoisotopic Mass:
444.904g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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