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Chemical ID: 4688959
Chemical ID:
4688959
Name [?]:
2,4-dibenzyloxy-1,3,5-trichloro-benzene
SMILES [?]:
c1ccc(cc1)COc2c(cc(c(c2Cl)OCc3ccccc3)Cl)Cl
InChi [?]:
InChI=1/C20H15Cl3O2/c21-16-11-17(22)20(25-13-15-9-5-2-6-10-15)18(23)19(16)24-12-14-7-3-1-4-8-14/h1-11H,12-13H2
InChi Info:
AuxInfo=1/0/N:1,21,2,6,20,22,3,5,19,23,11,7,17,4,18,10,12,14,9,13,25,24,15,8,16/E:(1,2)(3,4,5,6)(7,8,9,10)(12,13)(14,15)(16,17)(19,20)(21,22)(24,25)/rA:25nCCCCCCCOCCCCCCClOCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s13;s16;s17;s18;d19;s20;d21;d18s22;s12;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15Cl3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.818 |
Area: | 581.066 |
Solvation: | -3.70862 |
Coulombic: | -19.9851 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 393.69 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 7.14 |
LogP (Chemaxon): | 6.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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