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Home > Nitro Compounds > 88757-83-9
88757-83-9 | Ethanimidamide, N-hydroxy-2-[(2-methyl-5,7-dinitro-8-quinolinyl)oxy]-
CAS No: 88757-83-9 Catalog No: AG004CEZ MDL No:
Product Description
Catalog Number:
AG004CEZ
Chemical Name:
Ethanimidamide, N-hydroxy-2-[(2-methyl-5,7-dinitro-8-quinolinyl)oxy]-
CAS Number:
88757-83-9
Molecular Formula:
C12H11N5O6
Molecular Weight:
321.2456
IUPAC Name:
N'-hydroxy-2-(2-methyl-5,7-dinitroquinolin-8-yl)oxyethanimidamide
InChI:
InChI=1S/C12H11N5O6/c1-6-2-3-7-8(16(19)20)4-9(17(21)22)12(11(7)14-6)23-5-10(13)15-18/h2-4,18H,5H2,1H3,(H2,13,15)
InChI Key:
VNKZSJOSGMZDTB-UHFFFAOYSA-N
SMILES:
ONC(=N)COc1c(cc(c2c1nc(C)cc2)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.071g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.249g/mol
Monoisotopic Mass:
321.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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