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Chemical ID: 7225754
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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