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13022-21-4 | 4-Quinolinecarboxylic acid, 2-[2-(5-nitro-2-furanyl)ethenyl]-, hydrazide
CAS No: 13022-21-4 Catalog No: AG000U6C MDL No:
Product Description
Catalog Number:
AG000U6C
Chemical Name:
4-Quinolinecarboxylic acid, 2-[2-(5-nitro-2-furanyl)ethenyl]-, hydrazide
CAS Number:
13022-21-4
Molecular Formula:
C16H12N4O4
Molecular Weight:
324.2909
IUPAC Name:
2-[2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carbohydrazide
InChI:
InChI=1S/C16H12N4O4/c17-19-16(21)13-9-10(18-14-4-2-1-3-12(13)14)5-6-11-7-8-15(24-11)20(22)23/h1-9H,17H2,(H,19,21)
InChI Key:
IIIFUWYNCHEGLK-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cc(C=Cc2ccc(o2)[N+](=O)[O-])nc2c1cccc2
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.086g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.296g/mol
Monoisotopic Mass:
324.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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