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N-(2,4-dinitrophenoxyimino)-4-[ethoxy(oxo)methane]piperazin-1-imine oxide

N-(2,4-dinitrophenoxyimino)-4-[ethoxy(oxo)methane]piperazin-1-imine oxide

CAS: 205432-12-8

Formula: C13H16N6O8

SMILES: CCOC(=O)N1CCN(CC1)N(=O)=NOC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O

IUPAC: N-[(2,4-dinitrophenoxy)imino]-4-[ethoxy(oxo)methane]piperazin-1-imine oxide

InChI: InChI=1S/C13H16N6O8/c1-2-26-13(20)15-5-7-16(8-6-15)19(25)14-27-12-4-3-10(17(21)22)9-11(12)18(23)24/h3-4,9H,2,5-8H2,1H3

Composition: C (40.63%), H (4.20%), N (21.87%), O (33.30%)

Molar Mass: 384.305

Atom Count: 43

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 384.102961499
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 0
InChIKey DNJRNBYZLPKSHV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.23
Topological Polar Surface Area 169.4
Polarizability 33.12
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 205432-12-8 $43.70-$132.25$43.70$132.25
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