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Home > Nitro Compounds > 546107-39-5
546107-39-5 | 1-(4-ethylpiperazin-1-yl)-2-(4-nitrophenyl)ethanone
CAS No: 546107-39-5 Catalog No: AG019EUM MDL No:MFCD03396102
Product Description
Catalog Number:
AG019EUM
Chemical Name:
1-(4-ethylpiperazin-1-yl)-2-(4-nitrophenyl)ethanone
CAS Number:
546107-39-5
Molecular Formula:
C14H19N3O3
Molecular Weight:
277.3190
MDL Number:
MFCD03396102
IUPAC Name:
1-(4-ethylpiperazin-1-yl)-2-(4-nitrophenyl)ethanone
InChI:
InChI=1S/C14H19N3O3/c1-2-15-7-9-16(10-8-15)14(18)11-12-3-5-13(6-4-12)17(19)20/h3-6H,2,7-11H2,1H3
InChI Key:
HQXICBNBENMSEE-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)C(=O)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.143g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.324g/mol
Monoisotopic Mass:
277.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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