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Home > Nitro Compounds > 188651-26-5
188651-26-5 | 2-Propen-1-one, 1-[4-[4-[2-(4-nitrophenyl)diazenyl]phenyl]-1-piperazinyl]-
CAS No: 188651-26-5 Catalog No: AG002H2V MDL No:
Product Description
Catalog Number:
AG002H2V
Chemical Name:
2-Propen-1-one, 1-[4-[4-[2-(4-nitrophenyl)diazenyl]phenyl]-1-piperazinyl]-
CAS Number:
188651-26-5
Molecular Formula:
C19H19N5O3
Molecular Weight:
365.3859
IUPAC Name:
1-[4-[4-[(4-nitrophenyl)diazenyl]phenyl]piperazin-1-yl]prop-2-en-1-one
InChI:
InChI=1S/C19H19N5O3/c1-2-19(25)23-13-11-22(12-14-23)17-7-3-15(4-8-17)20-21-16-5-9-18(10-6-16)24(26)27/h2-10H,1,11-14H2
InChI Key:
IFMRAIJXUSIWEJ-UHFFFAOYSA-N
SMILES:
C=CC(=O)N1CCN(CC1)c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.149g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.393g/mol
Monoisotopic Mass:
365.149g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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