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Home > Nitro Compounds > 89007-12-5
89007-12-5 | Piperazine, 1-[(4-nitrophenyl)acetyl]-4-pyrazinyl-
CAS No: 89007-12-5 Catalog No: AG0044ZT MDL No:
Product Description
Catalog Number:
AG0044ZT
Chemical Name:
Piperazine, 1-[(4-nitrophenyl)acetyl]-4-pyrazinyl-
CAS Number:
89007-12-5
Molecular Formula:
C16H17N5O3
Molecular Weight:
327.3379
IUPAC Name:
2-(4-nitrophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
InChI:
InChI=1S/C16H17N5O3/c22-16(11-13-1-3-14(4-2-13)21(23)24)20-9-7-19(8-10-20)15-12-17-5-6-18-15/h1-6,12H,7-11H2
InChI Key:
AHRRWHQFMIISDH-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1nccnc1)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.133g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.344g/mol
Monoisotopic Mass:
327.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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