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Home > Nitro Compounds > 137725-92-9
137725-92-9 | Methanone, [4-(4-methyl-1-piperazinyl)-3-nitrophenyl]-4-morpholinyl-
CAS No: 137725-92-9 Catalog No: AG0013S6 MDL No:
Product Description
Catalog Number:
AG0013S6
Chemical Name:
Methanone, [4-(4-methyl-1-piperazinyl)-3-nitrophenyl]-4-morpholinyl-
CAS Number:
137725-92-9
Molecular Formula:
C16H22N4O4
Molecular Weight:
334.3703
IUPAC Name:
[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-morpholin-4-ylmethanone
InChI:
InChI=1S/C16H22N4O4/c1-17-4-6-18(7-5-17)14-3-2-13(12-15(14)20(22)23)16(21)19-8-10-24-11-9-19/h2-3,12H,4-11H2,1H3
InChI Key:
VCOFBRHLJCDKCS-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)N1CCOCC1
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.164g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.376g/mol
Monoisotopic Mass:
334.164g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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