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109545-43-9 | Benzamide,4-[(4-azido-3-iodophenyl)azo]-N-[3-[(2,5-dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl]-(9CI)
CAS No: 109545-43-9 Catalog No: AG007AHE MDL No:
Product Description
Catalog Number:
AG007AHE
Chemical Name:
Benzamide,4-[(4-azido-3-iodophenyl)azo]-N-[3-[(2,5-dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl]-(9CI)
CAS Number:
109545-43-9
Molecular Formula:
C20H16IN7O5
Molecular Weight:
561.2894
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-[[4-[(4-azido-3-iodophenyl)diazenyl]benzoyl]amino]propanoate
InChI:
InChI=1S/C20H16IN7O5/c21-15-11-14(5-6-16(15)26-27-22)25-24-13-3-1-12(2-4-13)20(32)23-10-9-19(31)33-28-17(29)7-8-18(28)30/h1-6,11H,7-10H2,(H,23,32)
InChI Key:
OPHYCLQLFRLEEP-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(cc1I)N=Nc1ccc(cc1)C(=O)NCCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
823
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
561.026g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
561.296g/mol
Monoisotopic Mass:
561.026g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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