Chemical ID: 6986868

Cc1ccc(cc1)OCC(=O)Oc2ccc(cc2Cl)Cl
Chemical ID:
6986868
Name [?]:
(2,4-dichlorophenyl) 2-(4-methylphenoxy)acetate
SMILES [?]:
Cc1ccc(cc1)OCC(=O)Oc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C15H12Cl2O3/c1-10-2-5-12(6-3-10)19-9-15(18)20-14-7-4-11(16)8-13(14)17/h2-8H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,15,4,6,14,17,9,2,16,5,18,13,10,20,19,11,8,12/E:(2,3)(5,6)/rA:20nCCCCCCCOCCOOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12Cl2O3
All Atoms:32
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.77812
Area:506.888
Solvation:-2.89408
Coulombic:-28.9935
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:311.159
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.62
LogP (Chemaxon):4.55

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