Chemical ID: 6936490

CC(COC)NC(=O)c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]
Chemical ID:
6936490
Name [?]:
4-chloro-N-(2-methoxy-1-methyl-ethyl)-3,5-dinitro-benzamide
SMILES [?]:
CC(COC)NC(=O)c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H12ClN3O6
All Atoms:33
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:-4.29985
Area:494.263
Solvation:-16.6564
Coulombic:-42.6974
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:317.682
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:1.86
LogP (Chemaxon):1.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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