Chemical ID: 6665421

CC(C)(C)c1ccc(c(c1)[N+](=O)[O-])OC
Chemical ID:
6665421
Name [?]:
1-methoxy-2-nitro-4-tert-butyl-benzene
SMILES [?]:
CC(C)(C)c1ccc(c(c1)[N+](=O)[O-])OC
InChi [?]:
InChI=1/C11H15NO3/c1-11(2,3)8-5-6-10(15-4)9(7-8)12(13)14/h5-7H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,15,6,7,10,5,9,8,2,11,12,13,14/E:(1,2,3)(13,14)/CRV:12.5/rA:15nCCCCCCCCCCN+OO-OC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;d11;s11;s8;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:0.697149
Area:380.36
Solvation:-8.81186
Coulombic:-19.0365
Bond Count [?]
All:15
Single:11
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:209.242
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.52
LogP (Chemaxon):3.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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