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Home > Nitro Compounds > 349410-58-8
349410-58-8 | 2-(4-nitrophenyl)-1-(4-phenylpiperazin-1-yl)ethanone
CAS No: 349410-58-8 Catalog No: AG01DK15 MDL No:
Product Description
Catalog Number:
AG01DK15
Chemical Name:
2-(4-nitrophenyl)-1-(4-phenylpiperazin-1-yl)ethanone
CAS Number:
349410-58-8
Molecular Formula:
C18H19N3O3
Molecular Weight:
325.3618
IUPAC Name:
2-(4-nitrophenyl)-1-(4-phenylpiperazin-1-yl)ethanone
InChI:
InChI=1S/C18H19N3O3/c22-18(14-15-6-8-17(9-7-15)21(23)24)20-12-10-19(11-13-20)16-4-2-1-3-5-16/h1-9H,10-14H2
InChI Key:
CTDWOWIAEZCJQN-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccccc1)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.143g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.368g/mol
Monoisotopic Mass:
325.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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