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Chemical ID: 4286046

c1cc(ccc1[N+](=O)[O-])OCCCCOc2ccc(cc2)[N+](=O)[O-]

Chemical ID:

4286046

Name [?]:

1-nitro-4-[4-(4-nitrophenoxy)butoxy]benzene

SMILES [?]:

c1cc(ccc1[N+](=O)[O-])OCCCCOc2ccc(cc2)[N+](=O)[O-]

InChi [?]:

InChI=1/C16H16N2O6/c19-17(20)13-3-7-15(8-4-13)23-11-1-2-12-24-16-9-5-14(6-10-16)18(21)22/h3-10H,1-2,11-12H2

InChi Info:

AuxInfo=1/0/N:12,13,1,5,18,20,2,4,17,21,11,14,6,19,3,16,7,22,8,9,23,24,10,15/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20,21,22)(23,24)/CRV:17.5,18.5/rA:24nCCCCCCN+OO-OCCCCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₆N₂O₆
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	-0.532431
Area:	572.166
Solvation:	-14.8366
Coulombic:	-37.2917

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	332.308
H-Bond Donors:	0
H-Bond Acceptors:	8
XLogP:	3.92
LogP (Chemaxon):	3.82

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value