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88757-98-6 | Ethanimidamide, 2-[(5-chloro-8-quinolinyl)oxy]-N-[(ethoxycarbonyl)oxy]-
CAS No: 88757-98-6 Catalog No: AG004CEH MDL No:
Product Description
Catalog Number:
AG004CEH
Chemical Name:
Ethanimidamide, 2-[(5-chloro-8-quinolinyl)oxy]-N-[(ethoxycarbonyl)oxy]-
CAS Number:
88757-98-6
Molecular Formula:
C14H14ClN3O4
Molecular Weight:
323.7317
IUPAC Name:
[[1-amino-2-(5-chloroquinolin-8-yl)oxyethylidene]amino] ethyl carbonate
InChI:
InChI=1S/C14H14ClN3O4/c1-2-20-14(19)22-18-12(16)8-21-11-6-5-10(15)9-4-3-7-17-13(9)11/h3-7H,2,8H2,1H3,(H2,16,18)
InChI Key:
CHFXNLKDKMWPTJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)ONC(=N)COc1ccc(c2c1nccc2)Cl
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.733g/mol
Monoisotopic Mass:
323.067g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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