Chemical ID: 7225754

c1c(cc(cc1N(=O)=O)N(=O)=O)C(=O)[O-]
Chemical ID:
7225754
Name [?]:
3,5-dinitrobenzoate
SMILES [?]:
c1c(cc(cc1N(=O)=O)N(=O)=O)C(=O)[O-]
InChi [?]:
InChI=1/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,5,2,6,4,13,7,10,14,15,8,9,11,12/E:(1,2)(5,6)(8,9)(10,11)(12,13,14,15)/CRV:8.5,9.5/rA:15nCCCCCCNOONOOCOO-/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s4;d10;d10;s2;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H3N2O6-
All Atoms:18
Heavy Atoms:15
Chiral Atoms:None
ZAP Information [?]
Total:-35.6056
Area:372.249
Solvation:-44.9118
Coulombic:-28.8836
Bond Count [?]
All:15
Single:7
Double:8
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.94
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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