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89010-96-8 | Benzamide, N-butyl-2-hydroxy-3,5-diiodo-
CAS No: 89010-96-8 Catalog No: AG0044MX MDL No:
Product Description
Catalog Number:
AG0044MX
Chemical Name:
Benzamide, N-butyl-2-hydroxy-3,5-diiodo-
CAS Number:
89010-96-8
Molecular Formula:
C11H13I2NO2
Molecular Weight:
445.0354
IUPAC Name:
N-butyl-2-hydroxy-3,5-diiodobenzamide
InChI:
InChI=1S/C11H13I2NO2/c1-2-3-4-14-11(16)8-5-7(12)6-9(13)10(8)15/h5-6,15H,2-4H2,1H3,(H,14,16)
InChI Key:
ZTVZIVFETNRPBV-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1cc(I)cc(c1O)I
Properties
Complexity:
238
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:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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