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Chemical ID: 4176535

c1cc(ccc1[N+](=O)[O-])OCCCOc2ccc(cc2)[N+](=O)[O-]

Chemical ID:

4176535

Name [?]:

1-nitro-4-[3-(4-nitrophenoxy)propoxy]benzene

SMILES [?]:

c1cc(ccc1[N+](=O)[O-])OCCCOc2ccc(cc2)[N+](=O)[O-]

InChi [?]:

InChI=1/C15H14N2O6/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2

InChi Info:

AuxInfo=1/0/N:12,1,5,17,19,2,4,16,20,11,13,6,18,3,15,7,21,8,9,22,23,10,14/E:(2,3,4,5)(6,7,8,9)(10,11)(12,13)(14,15)(16,17)(18,19,20,21)(22,23)/CRV:16.5,17.5/rA:23nCCCCCCN+OO-OCCCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₄N₂O₆
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	-1.695
Area:	545.296
Solvation:	-15.3274
Coulombic:	-36.3988

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	318.282
H-Bond Donors:	0
H-Bond Acceptors:	8
XLogP:	3.56
LogP (Chemaxon):	3.37

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