Chemical ID: 6703939

c1cc(c(cc1C(=O)[O-])[N+](=O)[O-])C(=O)[O-]
Chemical ID:
6703939
Name [?]:
2-nitrobenzene-1,4-dicarboxylate
SMILES [?]:
c1cc(c(cc1C(=O)[O-])[N+](=O)[O-])C(=O)[O-]
InChi [?]:
InChI=1/C8H5NO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)/p-2
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,7,13,10,8,9,14,15,11,12/E:(10,11)(12,13)(14,15)/CRV:9.5/rA:15nCCCCCCCOO-N+OO-COO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;s10;s3;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H3NO6-2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-100.022
Area:357.096
Solvation:-108.95
Coulombic:11.5197
Bond Count [?]
All:15
Single:9
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:209.113
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:0.06
LogP (Chemaxon):1.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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