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831217-23-3 | Benzamide, N-[4-(hexyloxy)phenyl]-2,5-diiodo-4-methyl-
CAS No: 831217-23-3 Catalog No: AG005A9A MDL No:
Product Description
Catalog Number:
AG005A9A
Chemical Name:
Benzamide, N-[4-(hexyloxy)phenyl]-2,5-diiodo-4-methyl-
CAS Number:
831217-23-3
Molecular Formula:
C20H23I2NO2
Molecular Weight:
563.2111
IUPAC Name:
N-(4-hexoxyphenyl)-2,5-diiodo-4-methylbenzamide
InChI:
InChI=1S/C20H23I2NO2/c1-3-4-5-6-11-25-16-9-7-15(8-10-16)23-20(24)17-13-18(21)14(2)12-19(17)22/h7-10,12-13H,3-6,11H2,1-2H3,(H,23,24)
InChI Key:
JUVGJDXEPZGOOX-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)NC(=O)c1cc(I)c(cc1I)C
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
562.982g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
563.218g/mol
Monoisotopic Mass:
562.982g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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