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Home > Nitro Compounds > 21091-98-5
21091-98-5 | Methanone, (4-methyl-1-piperazinyl)(4-nitrophenyl)-
CAS No: 21091-98-5 Catalog No: AG002L21 MDL No:MFCD00585638
Product Description
Catalog Number:
AG002L21
Chemical Name:
Methanone, (4-methyl-1-piperazinyl)(4-nitrophenyl)-
CAS Number:
21091-98-5
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
MDL Number:
MFCD00585638
IUPAC Name:
(4-methylpiperazin-1-yl)-(4-nitrophenyl)methanone
InChI:
InChI=1S/C12H15N3O3/c1-13-6-8-14(9-7-13)12(16)10-2-4-11(5-3-10)15(17)18/h2-5H,6-9H2,1H3
InChI Key:
UMRXCSPRJVBXHH-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
313
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:
0.2
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