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Home > Nitro Compounds > 178408-29-2
178408-29-2 | 2-Piperazinone, 3-[2-(4-nitrophenyl)-2-oxoethylidene]-1-phenyl-
CAS No: 178408-29-2 Catalog No: AG00260Q MDL No:
Product Description
Catalog Number:
AG00260Q
Chemical Name:
2-Piperazinone, 3-[2-(4-nitrophenyl)-2-oxoethylidene]-1-phenyl-
CAS Number:
178408-29-2
Molecular Formula:
C18H15N3O4
Molecular Weight:
337.3294
IUPAC Name:
3-[2-(4-nitrophenyl)-2-oxoethylidene]-1-phenylpiperazin-2-one
InChI:
InChI=1S/C18H15N3O4/c22-17(13-6-8-15(9-7-13)21(24)25)12-16-18(23)20(11-10-19-16)14-4-2-1-3-5-14/h1-9,12,19H,10-11H2
InChI Key:
SGLQWAOXTIJVEJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])C=C1NCCN(C1=O)c1ccccc1
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.106g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.335g/mol
Monoisotopic Mass:
337.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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