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Home > Nitro Compounds > 26128-86-9
26128-86-9 | Butanamide, 2-[(4-methyl-2-nitrophenyl)hydrazono]-3-oxo-N-phenyl- (9CI)
CAS No: 26128-86-9 Catalog No: AG002RSC MDL No:
Product Description
Catalog Number:
AG002RSC
Chemical Name:
Butanamide, 2-[(4-methyl-2-nitrophenyl)hydrazono]-3-oxo-N-phenyl- (9CI)
CAS Number:
26128-86-9
Molecular Formula:
C17H16N4O4
Molecular Weight:
340.3333
IUPAC Name:
3-hydroxy-2-[(4-methyl-2-nitrophenyl)diazenyl]-N-phenylbut-2-enamide
InChI:
InChI=1S/C17H16N4O4/c1-11-8-9-14(15(10-11)21(24)25)19-20-16(12(2)22)17(23)18-13-6-4-3-5-7-13/h3-10,22H,1-2H3,(H,18,23)
InChI Key:
QGNDAXYFYSPDKJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])NN=C(C(=O)Nc1ccccc1)C(=O)C
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.117g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.339g/mol
Monoisotopic Mass:
340.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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