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Chemical ID: 6687326
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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