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Chemical ID: 7471460
Chemical ID:
7471460
Name [?]:
tetrahydrofuran-2-ylmethyl 2-(2,4-dichlorophenoxy)acetate
SMILES [?]:
c1cc(c(cc1Cl)Cl)OCC(=O)OCC2CCCO2
InChi [?]:
InChI=1/C13H14Cl2O4/c14-9-3-4-12(11(15)6-9)18-8-13(16)19-7-10-2-1-5-17-10/h3-4,6,10H,1-2,5,7-8H2
InChi Info:
AuxInfo=1/0/N:17,16,1,2,18,5,14,10,6,15,4,3,11,7,8,12,19,9,13/rA:19cCCCCCCClClOCCOOCCCCCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;d11;s11;s13;s14;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14Cl2O4 |
All Atoms: | 33 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.5299 |
Area: | 507.808 |
Solvation: | -5.1653 |
Coulombic: | -34.887 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 305.153 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.24 |
LogP (Chemaxon): | 2.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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