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Home > Nitro Compounds > 88758-64-9
88758-64-9 | Ethanimidamide, N-[[(4-nitrophenyl)acetyl]oxy]-2-(8-quinolinyloxy)-
CAS No: 88758-64-9 Catalog No: AG004C2C MDL No:
Product Description
Catalog Number:
AG004C2C
Chemical Name:
Ethanimidamide, N-[[(4-nitrophenyl)acetyl]oxy]-2-(8-quinolinyloxy)-
CAS Number:
88758-64-9
Molecular Formula:
C19H16N4O5
Molecular Weight:
380.3541
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-(4-nitrophenyl)acetate
InChI:
InChI=1S/C19H16N4O5/c20-17(12-27-16-5-1-3-14-4-2-10-21-19(14)16)22-28-18(24)11-13-6-8-15(9-7-13)23(25)26/h1-10H,11-12H2,(H2,20,22)
InChI Key:
UGTJHZNLFCCIQK-UHFFFAOYSA-N
SMILES:
N=C(COc1cccc2c1nccc2)NOC(=O)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.112g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.36g/mol
Monoisotopic Mass:
380.112g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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