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88758-14-9 | Ethanimidamide, N-[(phenoxycarbonyl)oxy]-2-(8-quinolinyloxy)-
CAS No: 88758-14-9 Catalog No: AG004EB3 MDL No:
Product Description
Catalog Number:
AG004EB3
Chemical Name:
Ethanimidamide, N-[(phenoxycarbonyl)oxy]-2-(8-quinolinyloxy)-
CAS Number:
88758-14-9
Molecular Formula:
C18H15N3O4
Molecular Weight:
337.3294
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] phenyl carbonate
InChI:
InChI=1S/C18H15N3O4/c19-16(21-25-18(22)24-14-8-2-1-3-9-14)12-23-15-10-4-6-13-7-5-11-20-17(13)15/h1-11H,12H2,(H2,19,21)
InChI Key:
RFYQAHYBQDWBAT-UHFFFAOYSA-N
SMILES:
N=C(COc1cccc2c1nccc2)NOC(=O)Oc1ccccc1
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.106g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.335g/mol
Monoisotopic Mass:
337.106g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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