Chemical ID: 6529979

Cc1ccc(cc1C)[N+](=O)[O-]
Chemical ID:
6529979
Name [?]:
1,2-dimethyl-4-nitro-benzene
SMILES [?]:
Cc1ccc(cc1C)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H9NO2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,3,4,6,2,7,5,9,10,11/E:(10,11)/CRV:9.5/rA:11nCCCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9NO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:1.96234
Area:310.449
Solvation:-5.79889
Coulombic:-13.1206
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:151.163
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.66
LogP (Chemaxon):2.93

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue