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Chemical ID: 6986887
Chemical ID:
6986887
Name [?]:
(2,4-dichlorophenyl) 2-(4-ethylphenoxy)acetate
SMILES [?]:
CCc1ccc(cc1)OCC(=O)Oc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C16H14Cl2O3/c1-2-11-3-6-13(7-4-11)20-10-16(19)21-15-8-5-12(17)9-14(15)18/h3-9H,2,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,4,8,16,5,7,15,18,10,3,17,6,19,14,11,21,20,12,9,13/E:(3,4)(6,7)/rA:21nCCCCCCCCOCCOOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14Cl2O3 |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4431 |
Area: | 533.963 |
Solvation: | -2.90594 |
Coulombic: | -29.3496 |
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: | 5.08 |
LogP (Chemaxon): | 4.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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