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553630-09-4 | 2-(2-ethoxy-4-formyl-6-iodophenoxy)-N-(4-methylphenyl)acetamide
CAS No: 553630-09-4 Catalog No: AG00JKE0 MDL No:MFCD02257355
Product Description
Catalog Number:
AG00JKE0
Chemical Name:
2-(2-ethoxy-4-formyl-6-iodophenoxy)-N-(4-methylphenyl)acetamide
CAS Number:
553630-09-4
Molecular Formula:
C18H18INO4
Molecular Weight:
439.2443
MDL Number:
MFCD02257355
IUPAC Name:
2-(2-ethoxy-4-formyl-6-iodophenoxy)-N-(4-methylphenyl)acetamide
InChI:
InChI=1S/C18H18INO4/c1-3-23-16-9-13(10-21)8-15(19)18(16)24-11-17(22)20-14-6-4-12(2)5-7-14/h4-10H,3,11H2,1-2H3,(H,20,22)
InChI Key:
PUXDCTHJHMWUQB-UHFFFAOYSA-N
SMILES:
CCOc1cc(C=O)cc(c1OCC(=O)Nc1ccc(cc1)C)I
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.028g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
439.249g/mol
Monoisotopic Mass:
439.028g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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