Chemical ID: 6687326

COP(=S)(OC)Oc1cc(c(cc1Cl)Cl)Cl
Chemical ID:
6687326
Name [?]:
dimethoxy-thioxo-(2,4,5-trichlorophenoxy)-phosphorane
SMILES [?]:
COP(=S)(OC)Oc1cc(c(cc1Cl)Cl)Cl
InChi [?]:
InChI=1/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,12,9,11,10,13,8,15,16,14,2,5,7,3,4/E:(1,2)(12,13)/rA:16nCOPSOCOCCCCCCClClCl/rB:s1;s2;d3;s3;s5;s3;s7;s8;d9;s10;d11;d8s12;s13;s11;s10;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8Cl3O3PS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.89025
Area:429.544
Solvation:-3.84835
Coulombic:-25.676
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:321.545
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.04
LogP (Chemaxon):3.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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