Chemical ID: 7066482

CCOc1ccccc1C(C)(C)CCl
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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Descriptor Annotations

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