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Chemical ID: 4372547
Chemical ID:
4372547
Name [?]:
1,3-dichloro-2-[2-(4-methoxyphenoxy)ethoxy]benzene
SMILES [?]:
COc1ccc(cc1)OCCOc2c(cccc2Cl)Cl
InChi [?]:
InChI=1/C15H14Cl2O3/c1-18-11-5-7-12(8-6-11)19-9-10-20-15-13(16)3-2-4-14(15)17/h2-8H,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,4,8,5,7,10,11,3,6,14,18,13,20,19,2,9,12/E:(3,4)(5,6)(7,8)(13,14)(16,17)/rA:20nCOCCCCCCOCCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s14;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14Cl2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.50761 |
Area: | 500.356 |
Solvation: | -5.0013 |
Coulombic: | -24.0498 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 313.175 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.55 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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