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88757-77-1 | Ethanimidamide, 2-[(5,7-diiodo-8-quinolinyl)oxy]-N-hydroxy-
CAS No: 88757-77-1 Catalog No: AG004CGE MDL No:
Product Description
Catalog Number:
AG004CGE
Chemical Name:
Ethanimidamide, 2-[(5,7-diiodo-8-quinolinyl)oxy]-N-hydroxy-
CAS Number:
88757-77-1
Molecular Formula:
C11H9I2N3O2
Molecular Weight:
469.0170
IUPAC Name:
2-(5,7-diiodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide
InChI:
InChI=1S/C11H9I2N3O2/c12-7-4-8(13)11(18-5-9(14)16-17)10-6(7)2-1-3-15-10/h1-4,17H,5H2,(H2,14,16)
InChI Key:
CBJUIOPAIDQRKC-UHFFFAOYSA-N
SMILES:
ONC(=N)COc1c(I)cc(c2c1nccc2)I
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.878g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
469.021g/mol
Monoisotopic Mass:
468.878g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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