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Chemical ID: 7066482
Chemical ID:
7066482
Name [?]:
1-(2-chloro-1,1-dimethyl-ethyl)-2-ethoxy-benzene
SMILES [?]:
CCOc1ccccc1C(C)(C)CCl
InChi [?]:
InChI=1/C12H17ClO/c1-4-14-11-8-6-5-7-10(11)12(2,3)9-13/h5-8H,4,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,11,12,2,7,6,8,5,13,9,4,10,14,3/E:(2,3)/rA:14nCCOCCCCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s10;s10;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17ClO |
All Atoms: | 31 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.14782 |
Area: | 385.757 |
Solvation: | -1.4961 |
Coulombic: | -10.5243 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 212.715 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.67 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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