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Home > Nitro Compounds > 926257-88-7
926257-88-7 | 1-(3-nitro-4-piperazinophenyl)-1-ethanone
CAS No: 926257-88-7 Catalog No: AG00J71I MDL No:MFCD08442601
Product Description
Catalog Number:
AG00J71I
Chemical Name:
1-(3-nitro-4-piperazinophenyl)-1-ethanone
CAS Number:
926257-88-7
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
MDL Number:
MFCD08442601
IUPAC Name:
1-(3-nitro-4-piperazin-1-ylphenyl)ethanone
InChI:
InChI=1S/C12H15N3O3/c1-9(16)10-2-3-11(12(8-10)15(17)18)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChI Key:
GHEDOFZBDHZHEP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N1CCNCC1)C(=O)C
Properties
Complexity:
323
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:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.27g/mol
Monoisotopic Mass:
249.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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