Chemical ID: 5028149

c1cc(ccc1C(=O)C=[N+]=[N-])[N+](=O)[O-]
Chemical ID:
5028149
Name [?]:
2-diazo-1-(4-nitrophenyl)-ethanone
SMILES [?]:
c1cc(ccc1C(=O)C=[N+]=[N-])[N+](=O)[O-]
InChi [?]:
InChI=1/C8H5N3O3/c9-10-5-8(12)6-1-3-7(4-2-6)11(13)14/h1-5H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,9,6,3,7,11,10,12,8,13,14/E:(1,2)(3,4)(13,14)/CRV:10.5,11.5/rA:14nCCCCCCCOCN+N-N+OO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;d9;d10;s3;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5N3O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-8.94658
Area:366.559
Solvation:-18.1106
Coulombic:-20.4244
Bond Count [?]
All:14
Single:7
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:191.144
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:0.95
LogP (Chemaxon):-0.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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