Chemical ID: 6986887

CCc1ccc(cc1)OCC(=O)Oc2ccc(cc2Cl)Cl
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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