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Home > Nitro Compounds > 314061-17-1
314061-17-1 | 1-[4-(3-nitrophenyl)piperazin-1-yl]ethan-1-one
CAS No: 314061-17-1 Catalog No: AG01AFWY MDL No:MFCD20045745
Product Description
Catalog Number:
AG01AFWY
Chemical Name:
1-[4-(3-nitrophenyl)piperazin-1-yl]ethan-1-one
CAS Number:
314061-17-1
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
MDL Number:
MFCD20045745
IUPAC Name:
1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone
InChI:
InChI=1S/C12H15N3O3/c1-10(16)13-5-7-14(8-6-13)11-3-2-4-12(9-11)15(17)18/h2-4,9H,5-8H2,1H3
InChI Key:
ZEVQFEXNVZZJNM-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCN(CC1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.27g/mol
Monoisotopic Mass:
249.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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