Chemical ID: 6692943

c1cc(c(cc1N(=O)=O)N(=O)=O)O
Chemical ID:
6692943
Name [?]:
2,4-dinitrophenol
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
InChi Info:
AuxInfo=1/0/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:C6H4N2O5
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-6.6581
Area:330.376
Solvation:-14.9175
Coulombic:-31.899
Bond Count [?]
All:13
Single:6
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:184.106
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.04
LogP (Chemaxon):1.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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