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1-nitro-4-[2-(4-nitrophenoxy)ethoxy]benzene

1-nitro-4-[2-(4-nitrophenoxy)ethoxy]benzene

CAS: 14467-69-7

Formula: C14H12N2O6

SMILES: [O-][N+](=O)C1=CC=C(OCCOC2=CC=C(C=C2)[N+]([O-])=O)C=C1

IUPAC: 1-nitro-4-[2-(4-nitrophenoxy)ethoxy]benzene

InChI: InChI=1S/C14H12N2O6/c17-15(18)11-1-5-13(6-2-11)21-9-10-22-14-7-3-12(4-8-14)16(19)20/h1-8H,9-10H2

Composition: C (55.27%), H (3.98%), N (9.21%), O (31.55%)

Molar Mass: 304.258

Atom Count: 34

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 304.069536114
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey DGNVEKKAEPFSIH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.71
Topological Polar Surface Area 104.74
Polarizability 28.79
Ring Count 2
Rotatable Bond Count 7

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