Chemical ID: 7225761

c1cc(c(cc1N(=O)=O)N(=O)=O)[O-]
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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