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Home > Nitro Compounds > 215649-84-6
215649-84-6 | 1-(3-Nitrophenyl)piperazin-2-one
CAS No: 215649-84-6 Catalog No: AG003CXN MDL No:MFCD10568168
Product Description
Catalog Number:
AG003CXN
Chemical Name:
1-(3-Nitrophenyl)piperazin-2-one
CAS Number:
215649-84-6
Molecular Formula:
C10H11N3O3
Molecular Weight:
221.2126
MDL Number:
MFCD10568168
IUPAC Name:
1-(3-nitrophenyl)piperazin-2-one
InChI:
InChI=1S/C10H11N3O3/c14-10-7-11-4-5-12(10)8-2-1-3-9(6-8)13(15)16/h1-3,6,11H,4-5,7H2
InChI Key:
VFWUZSXMPSDONN-UHFFFAOYSA-N
SMILES:
O=C1CNCCN1c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
290
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:
0.5
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