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Chemical ID: 6986872
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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Experimental Annotations
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Descriptor Annotations
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