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Chemical ID: 4728924
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
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Experimental Annotations
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Descriptor Annotations
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