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579521-68-9 | N-benzyl-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide
CAS No: 579521-68-9 Catalog No: AG00JKDU MDL No:MFCD02257293
Product Description
Catalog Number:
AG00JKDU
Chemical Name:
N-benzyl-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide
CAS Number:
579521-68-9
Molecular Formula:
C17H16INO4
Molecular Weight:
425.2177
MDL Number:
MFCD02257293
IUPAC Name:
N-benzyl-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide
InChI:
InChI=1S/C17H16INO4/c1-22-15-8-13(10-20)7-14(18)17(15)23-11-16(21)19-9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,19,21)
InChI Key:
ZLELEQWWTUGASW-UHFFFAOYSA-N
SMILES:
O=Cc1cc(I)c(c(c1)OC)OCC(=O)NCc1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.012g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
425.222g/mol
Monoisotopic Mass:
425.012g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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