Chemical ID: 4663889

Cc1cc(c(c(c1)C)[N+](=O)[O-])C
Chemical ID:
4663889
Name [?]:
1,3,5-trimethyl-2-nitro-benzene
SMILES [?]:
Cc1cc(c(c(c1)C)[N+](=O)[O-])C
InChi [?]:
InChI=1/C9H11NO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,12,7,3,2,6,4,5,9,10,11/E:(2,3)(4,5)(7,8)(11,12)/CRV:10.5/rA:12nCCCCCCCCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s4;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:2.63944
Area:326.54
Solvation:-5.52406
Coulombic:-13.9176
Bond Count [?]
All:12
Single:8
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:165.189
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.68
LogP (Chemaxon):3.4

Name Annotations

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Descriptor Annotations

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