Chemical ID: 5567525

CC(C)(C)OC(=O)c1cn(nn1)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-]
Chemical ID:
5567525
Name [?]:
tert-butyl 1-(2,4-dinitrophenyl)triazole-4-carboxylate
SMILES [?]:
CC(C)(C)OC(=O)c1cn(nn1)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H13N5O6
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-2.17587
Area:524.246
Solvation:-15.282
Coulombic:-39.6683
Bond Count [?]
All:25
Single:17
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:335.272
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:2.25
LogP (Chemaxon):2.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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