Chemical ID: 3964717

c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)O
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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Descriptor Annotations

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