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89011-05-2 | Benzamide, 2-hydroxy-3,5-diiodo-N-pentyl-
CAS No: 89011-05-2 Catalog No: AG0043K1 MDL No:
Product Description
Catalog Number:
AG0043K1
Chemical Name:
Benzamide, 2-hydroxy-3,5-diiodo-N-pentyl-
CAS Number:
89011-05-2
Molecular Formula:
C12H15I2NO2
Molecular Weight:
459.0619
IUPAC Name:
2-hydroxy-3,5-diiodo-N-pentylbenzamide
InChI:
InChI=1S/C12H15I2NO2/c1-2-3-4-5-15-12(17)9-6-8(13)7-10(14)11(9)16/h6-7,16H,2-5H2,1H3,(H,15,17)
InChI Key:
FSKLMZHHSPCXGN-UHFFFAOYSA-N
SMILES:
CCCCCNC(=O)c1cc(I)cc(c1O)I
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.919g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
459.066g/mol
Monoisotopic Mass:
458.919g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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