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Home > Nitro Compounds > 74852-61-2
74852-61-2 | 1-(4-Methoxyphenyl)-4-(4-nitrophenyl)piperazine
CAS No: 74852-61-2 Catalog No: AG0058TW MDL No:
Product Description
Catalog Number:
AG0058TW
Chemical Name:
1-(4-Methoxyphenyl)-4-(4-nitrophenyl)piperazine
CAS Number:
74852-61-2
Molecular Formula:
C17H19N3O3
Molecular Weight:
313.3511
IUPAC Name:
1-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine
InChI:
InChI=1S/C17H19N3O3/c1-23-17-8-6-15(7-9-17)19-12-10-18(11-13-19)14-2-4-16(5-3-14)20(21)22/h2-9H,10-13H2,1H3
InChI Key:
AVCKOFMRPAJEPN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
EC Number:
616-145-3
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.143g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.357g/mol
Monoisotopic Mass:
313.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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