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Chemical ID: 6632288

c1ccc(c(c1)[N+](=O)[O-])OCc2ccc(o2)c3ccc(cc3)[N+](=O)[O-]

Chemical ID:

6632288

Name [?]:

2-[(2-nitrophenoxy)methyl]-5-(4-nitrophenyl)-furan

SMILES [?]:

c1ccc(c(c1)[N+](=O)[O-])OCc2ccc(o2)c3ccc(cc3)[N+](=O)[O-]

InChi [?]:

InChI=1/C17H12N2O6/c20-18(21)13-7-5-12(6-8-13)16-10-9-14(25-16)11-24-17-4-2-1-3-15(17)19(22)23/h1-10H,11H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,18,22,19,21,13,14,11,17,20,12,5,15,4,23,7,24,25,8,9,10,16/E:(5,6)(7,8)(20,21)(22,23)/CRV:18.5,19.5/rA:25nCCCCCCN+OO-OCCCCCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₂N₂O₆
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	-2.29415
Area:	550.325
Solvation:	-16.0523
Coulombic:	-37.7427

Bond Count [?]

All:	27
Single:	17
Double:	10
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	340.287
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	3.83
LogP (Chemaxon):	3.87

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