Chemical ID: 7471460

c1cc(c(cc1Cl)Cl)OCC(=O)OCC2CCCO2
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

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