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82559-80-6 | Benzamide, N-[3-(1-ethyl-1-methylpropyl)-5-isoxazolyl]-2,3,5-triiodo-
CAS No: 82559-80-6 Catalog No: AG00572G MDL No:
Product Description
Catalog Number:
AG00572G
Chemical Name:
Benzamide, N-[3-(1-ethyl-1-methylpropyl)-5-isoxazolyl]-2,3,5-triiodo-
CAS Number:
82559-80-6
Molecular Formula:
C16H17I3N2O2
Molecular Weight:
650.0318
IUPAC Name:
2,3,5-triiodo-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide
InChI:
InChI=1S/C16H17I3N2O2/c1-4-16(3,5-2)12-8-13(23-21-12)20-15(22)10-6-9(17)7-11(18)14(10)19/h6-8H,4-5H2,1-3H3,(H,20,22)
InChI Key:
KZEAIOXEMLXJSF-UHFFFAOYSA-N
SMILES:
CCC(c1noc(c1)NC(=O)c1cc(I)cc(c1I)I)(CC)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
649.842g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
650.037g/mol
Monoisotopic Mass:
649.842g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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