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88758-93-4 | Ethanimidamide, N-(benzoyloxy)-2-[(5-chloro-8-quinolinyl)oxy]-
CAS No: 88758-93-4 Catalog No: AG004BCP MDL No:
Product Description
Catalog Number:
AG004BCP
Chemical Name:
Ethanimidamide, N-(benzoyloxy)-2-[(5-chloro-8-quinolinyl)oxy]-
CAS Number:
88758-93-4
Molecular Formula:
C18H14ClN3O3
Molecular Weight:
355.7751
IUPAC Name:
[[1-amino-2-(5-chloroquinolin-8-yl)oxyethylidene]amino] benzoate
InChI:
InChI=1S/C18H14ClN3O3/c19-14-8-9-15(17-13(14)7-4-10-21-17)24-11-16(20)22-25-18(23)12-5-2-1-3-6-12/h1-10H,11H2,(H2,20,22)
InChI Key:
QGGXHNMYBWLVAD-UHFFFAOYSA-N
SMILES:
N=C(COc1ccc(c2c1nccc2)Cl)NOC(=O)c1ccccc1
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.072g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.778g/mol
Monoisotopic Mass:
355.072g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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