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88758-59-2 | Ethanimidamide, N-[(butoxycarbonyl)oxy]-2-[(5-chloro-8-quinolinyl)oxy]-
CAS No: 88758-59-2 Catalog No: AG004C2G MDL No:
Product Description
Catalog Number:
AG004C2G
Chemical Name:
Ethanimidamide, N-[(butoxycarbonyl)oxy]-2-[(5-chloro-8-quinolinyl)oxy]-
CAS Number:
88758-59-2
Molecular Formula:
C16H18ClN3O4
Molecular Weight:
351.7848
IUPAC Name:
[[1-amino-2-(5-chloroquinolin-8-yl)oxyethylidene]amino] butyl carbonate
InChI:
InChI=1S/C16H18ClN3O4/c1-2-3-9-22-16(21)24-20-14(18)10-23-13-7-6-12(17)11-5-4-8-19-15(11)13/h4-8H,2-3,9-10H2,1H3,(H2,18,20)
InChI Key:
UPTUPNAOKBUZPX-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)ONC(=N)COc1ccc(c2c1nccc2)Cl
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.099g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.787g/mol
Monoisotopic Mass:
351.099g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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