Chemical ID: 6687405

CCCCOC(=O)COc1ccc(cc1Cl)Cl
Chemical ID:
6687405
Name [?]:
butyl 2-(2,4-dichlorophenoxy)acetate
SMILES [?]:
CCCCOC(=O)COc1ccc(cc1Cl)Cl
InChi [?]:
InChI=1/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,12,11,4,14,8,13,15,10,6,17,16,7,5,9/rA:17nCCCCOCOCOCCCCCCClCl/rB:s1;s2;s3;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:8.75175
Area:487.705
Solvation:-3.44088
Coulombic:-28.1001
Bond Count [?]
All:17
Single:13
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:277.143
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.23
LogP (Chemaxon):3.61

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Descriptor Annotations

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