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Chemical ID: 4742896

c1ccc(c(c1)[N+](=O)[O-])OCCOc2ccccc2[N+](=O)[O-]

Chemical ID:

4742896

Name [?]:

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

SMILES [?]:

c1ccc(c(c1)[N+](=O)[O-])OCCOc2ccccc2[N+](=O)[O-]

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,17,2,16,6,18,3,15,11,12,5,19,4,14,7,20,8,9,21,22,10,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18,19,20)(21,22)/CRV:15.5,16.5/rA:22nCCCCCCN+OO-OCCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₂N₂O₆
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	-6.89901
Area:	490.741
Solvation:	-19.1675
Coulombic:	-34.627

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	304.255
H-Bond Donors:	0
H-Bond Acceptors:	8
XLogP:	2.93
LogP (Chemaxon):	3.32

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