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88758-05-8 | Ethanimidamide, 2-[(5-chloro-8-quinolinyl)oxy]-N-(1-oxopropoxy)-
CAS No: 88758-05-8 Catalog No: AG004EB8 MDL No:
Product Description
Catalog Number:
AG004EB8
Chemical Name:
Ethanimidamide, 2-[(5-chloro-8-quinolinyl)oxy]-N-(1-oxopropoxy)-
CAS Number:
88758-05-8
Molecular Formula:
C14H14ClN3O3
Molecular Weight:
307.7323
IUPAC Name:
[[1-amino-2-(5-chloroquinolin-8-yl)oxyethylidene]amino] propanoate
InChI:
InChI=1S/C14H14ClN3O3/c1-2-13(19)21-18-12(16)8-20-11-6-5-10(15)9-4-3-7-17-14(9)11/h3-7H,2,8H2,1H3,(H2,16,18)
InChI Key:
QWNMXXNVJUUGAR-UHFFFAOYSA-N
SMILES:
CCC(=O)ONC(=N)COc1ccc(c2c1nccc2)Cl
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.072g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.734g/mol
Monoisotopic Mass:
307.072g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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