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486994-22-3 | 2-(2-ethoxy-4-formyl-6-iodophenoxy)-N-(2-phenylethyl)acetamide
CAS No: 486994-22-3 Catalog No: AG00JKDY MDL No:MFCD02257344
Product Description
Catalog Number:
AG00JKDY
Chemical Name:
2-(2-ethoxy-4-formyl-6-iodophenoxy)-N-(2-phenylethyl)acetamide
CAS Number:
486994-22-3
Molecular Formula:
C19H20INO4
Molecular Weight:
453.2709
MDL Number:
MFCD02257344
IUPAC Name:
2-(2-ethoxy-4-formyl-6-iodophenoxy)-N-(2-phenylethyl)acetamide
InChI:
InChI=1S/C19H20INO4/c1-2-24-17-11-15(12-22)10-16(20)19(17)25-13-18(23)21-9-8-14-6-4-3-5-7-14/h3-7,10-12H,2,8-9,13H2,1H3,(H,21,23)
InChI Key:
PIMHSORFAXDEHH-UHFFFAOYSA-N
SMILES:
CCOc1cc(C=O)cc(c1OCC(=O)NCCc1ccccc1)I
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.044g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
453.276g/mol
Monoisotopic Mass:
453.044g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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