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Home > Nitro Compounds > 223785-99-7
223785-99-7 | 4-(4-Nitrophenyl)-2-piperazinone
CAS No: 223785-99-7 Catalog No: AG003K4U MDL No:MFCD18916775
Product Description
Catalog Number:
AG003K4U
Chemical Name:
4-(4-Nitrophenyl)-2-piperazinone
CAS Number:
223785-99-7
Molecular Formula:
C10H11N3O3
Molecular Weight:
221.2126
MDL Number:
MFCD18916775
IUPAC Name:
4-(4-nitrophenyl)piperazin-2-one
InChI:
InChI=1S/C10H11N3O3/c14-10-7-12(6-5-11-10)8-1-3-9(4-2-8)13(15)16/h1-4H,5-7H2,(H,11,14)
InChI Key:
XJZGRBZMXHGFCB-UHFFFAOYSA-N
SMILES:
O=C1NCCN(C1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.216g/mol
Monoisotopic Mass:
221.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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