Chemical ID: 4431487

Cc1cc(ccc1OCC(=O)Oc2ccccc2Cl)Cl
Chemical ID:
4431487
Name [?]:
(2-chlorophenyl) 2-(4-chloro-2-methyl-phenoxy)acetate
SMILES [?]:
Cc1cc(ccc1OCC(=O)Oc2ccccc2Cl)Cl
InChi [?]:
InChI=1/C15H12Cl2O3/c1-10-8-11(16)6-7-13(10)19-9-15(18)20-14-5-3-2-4-12(14)17/h2-8H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,5,6,3,9,2,4,18,7,13,10,20,19,11,8,12/rA:20nCCCCCCCOCCOOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12Cl2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.6846
Area:504.065
Solvation:-2.91704
Coulombic:-29.3779
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:4.41
LogP (Chemaxon):4.55

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