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Chemical ID: 3964717
Chemical ID:
3964717
Name [?]:
2-(2,4,5-trichlorophenoxy)acetic acid
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)
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: | C8H5Cl3O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.55724 |
Area: | 410.223 |
Solvation: | -3.69833 |
Coulombic: | -34.1975 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 255.482 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.19 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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