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Chemical ID: 6665421
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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