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Chemical ID: 4449338
Chemical ID:
4449338
Name [?]:
(2,5-dichlorophenyl) 2-(2-ethylphenoxy)acetate
SMILES [?]:
CCc1ccccc1OCC(=O)Oc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C16H14Cl2O3/c1-2-11-5-3-4-6-14(11)20-10-16(19)21-15-9-12(17)7-8-13(15)18/h3-9H,2,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,6,4,7,17,18,15,10,3,16,19,8,14,11,21,20,12,9,13/rA:21nCCCCCCCCOCCOOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14Cl2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1853 |
Area: | 523.762 |
Solvation: | -2.90871 |
Coulombic: | -29.52 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 325.186 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.87 |
LogP (Chemaxon): | 4.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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