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Home > Nitro Compounds > 1090361-16-2
1090361-16-2 | Ethanone, 1-(4-acetyl-1-piperazinyl)-2-(4-nitrophenyl)-
CAS No: 1090361-16-2 Catalog No: AG01DHB2 MDL No:
Product Description
Catalog Number:
AG01DHB2
Chemical Name:
Ethanone, 1-(4-acetyl-1-piperazinyl)-2-(4-nitrophenyl)-
CAS Number:
1090361-16-2
Molecular Formula:
C14H17N3O4
Molecular Weight:
291.3025
IUPAC Name:
1-(4-acetylpiperazin-1-yl)-2-(4-nitrophenyl)ethanone
InChI:
InChI=1S/C14H17N3O4/c1-11(18)15-6-8-16(9-7-15)14(19)10-12-2-4-13(5-3-12)17(20)21/h2-5H,6-10H2,1H3
InChI Key:
WMULZNDMBQZROG-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)C(=O)C)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.307g/mol
Monoisotopic Mass:
291.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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