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88758-35-4 | Ethanimidamide, 2-[(5-chloro-8-quinolinyl)oxy]-N-[(1-oxo-2-butenyl)oxy]-
CAS No: 88758-35-4 Catalog No: AG004C74 MDL No:
Product Description
Catalog Number:
AG004C74
Chemical Name:
Ethanimidamide, 2-[(5-chloro-8-quinolinyl)oxy]-N-[(1-oxo-2-butenyl)oxy]-
CAS Number:
88758-35-4
Molecular Formula:
C15H14ClN3O3
Molecular Weight:
319.7430
IUPAC Name:
[[1-amino-2-(5-chloroquinolin-8-yl)oxyethylidene]amino] but-2-enoate
InChI:
InChI=1S/C15H14ClN3O3/c1-2-4-14(20)22-19-13(17)9-21-12-7-6-11(16)10-5-3-8-18-15(10)12/h2-8H,9H2,1H3,(H2,17,19)
InChI Key:
MBGMVAJZVSGONE-UHFFFAOYSA-N
SMILES:
CC=CC(=O)ONC(=N)COc1ccc(c2c1nccc2)Cl
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.072g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.745g/mol
Monoisotopic Mass:
319.072g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.9
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