Chemical ID: 5252672

CC(C)COC(=O)COc1ccc(cc1Cl)Cl
Chemical ID:
5252672
Name [?]:
isobutyl 2-(2,4-dichlorophenoxy)acetate
SMILES [?]:
CC(C)COC(=O)COc1ccc(cc1Cl)Cl
InChi [?]:
InChI=1/C12H14Cl2O3/c1-8(2)6-17-12(15)7-16-11-4-3-9(13)5-10(11)14/h3-5,8H,6-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,12,11,14,4,8,2,13,15,10,6,17,16,7,9,5/E:(1,2)/rA:17nCCCCOCOCOCCCCCCClCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s13;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14Cl2O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.63764
Area:482.358
Solvation:-3.42132
Coulombic:-28.1215
Bond Count [?]
All:17
Single:13
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:277.143
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.96
LogP (Chemaxon):3.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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