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Chemical ID: 7225761
Chemical ID:
7225761
Name [?]:
2,4-dinitrophenolate
SMILES [?]:
c1cc(c(cc1N(=O)=O)N(=O)=O)[O-]
InChi [?]:
InChI=1/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H/p-1
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,3,7,10,13,8,9,11,12/E:(10,11)(12,13)/CRV:7.5,8.5/rA:13nCCCCCCNOONOOO-/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s4;d10;d10;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H3N2O5- |
All Atoms: | 16 |
Heavy Atoms: | 13 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -41.5399 |
Area: | 330.376 |
Solvation: | -49.7993 |
Coulombic: | -11.2092 |
Bond Count [?]
All: | 13 |
Single: | 6 |
Double: | 7 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.04 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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