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Chemical ID: 7241242
Chemical ID:
7241242
Name [?]:
2-(2,4,5-trichlorophenoxy)acetate
SMILES [?]:
c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)[O-]
InChi [?]:
InChI=1/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:4,1,11,5,6,3,2,12,8,7,9,13,14,10/E:(12,13)/rA:14nCCCCCCClClClOCCOO-/rB:s1;d2;s3;d4;d1s5;s6;s5;s3;s2;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H4Cl3O3- |
All Atoms: | 18 |
Heavy Atoms: | 14 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -33.475 |
Area: | 408.008 |
Solvation: | -43.6752 |
Coulombic: | -9.59259 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.7 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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