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Chemical ID: 6663482
Chemical ID:
6663482
Name [?]:
1-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzene
SMILES [?]:
c1ccc(c(c1)OCCOc2ccccc2Cl)Cl
InChi [?]:
InChI=1/C14H12Cl2O2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8H,9-10H2
InChi Info:
AuxInfo=1/0/N:2,14,1,13,3,15,6,12,8,9,4,16,5,11,18,17,7,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18nCCCCCCOCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12Cl2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.70716 |
Area: | 474.329 |
Solvation: | -4.15107 |
Coulombic: | -17.6184 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 283.149 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.64 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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