Chemical ID: 4728924

c1c(cc(c(c1Cl)OCCOc2c(cc(cc2Cl)Cl)Cl)Cl)Cl
Chemical ID:
4728924
Name [?]:
1,3,5-trichloro-2-[2-(2,4,6-trichlorophenoxy)ethoxy]benzene
SMILES [?]:
c1c(cc(c(c1Cl)OCCOc2c(cc(cc2Cl)Cl)Cl)Cl)Cl
InChi [?]:
InChI=1/C14H8Cl6O2/c15-7-3-9(17)13(10(18)4-7)21-1-2-22-14-11(19)5-8(16)6-12(14)20/h3-6H,1-2H2
InChi Info:
AuxInfo=1/0/N:9,10,1,3,14,16,2,15,6,4,13,17,5,12,22,19,7,21,20,18,8,11/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14)(15,16)(17,18,19,20)(21,22)/rA:22nCCCCCCClOCCOCCCCCCClClClClCl/rB:s1;d2;s3;d4;d1s5;s6;s5;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s13;s4;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8Cl6O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.8557
Area:582.161
Solvation:-3.6983
Coulombic:-17.6761
Bond Count [?]
All:23
Single:17
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:420.928
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.13
LogP (Chemaxon):6.52

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue