Chemical ID: 6986872

Cc1cc(ccc1OCC(=O)Oc2ccc(cc2Cl)Cl)Cl
Chemical ID:
6986872
Name [?]:
(2,4-dichlorophenyl) 2-(4-chloro-2-methyl-phenoxy)acetate
SMILES [?]:
Cc1cc(ccc1OCC(=O)Oc2ccc(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C15H11Cl3O3/c1-9-6-10(16)2-4-13(9)20-8-15(19)21-14-5-3-11(17)7-12(14)18/h2-7H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,15,6,14,3,17,9,2,4,16,18,7,13,10,21,20,19,11,8,12/rA:21nCCCCCCCOCCOOCCCCCCClClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11Cl3O3
All Atoms:32
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.5513
Area:539.386
Solvation:-2.93337
Coulombic:-29.004
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:345.604
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.03
LogP (Chemaxon):5.07

Name Annotations

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Descriptor Annotations

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