Chemical ID: 6422969

c1c(c(cc(c1Cl)Cl)Cl)OCCC(=O)O
Chemical ID:
6422969
Name [?]:
3-(2,4,5-trichlorophenoxy)propanoic acid
SMILES [?]:
c1c(c(cc(c1Cl)Cl)Cl)OCCC(=O)O
InChi [?]:
InChI=1/C9H7Cl3O3/c10-5-3-7(12)8(4-6(5)11)15-2-1-9(13)14/h3-4H,1-2H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:12,11,4,1,5,6,3,2,13,8,7,9,14,15,10/E:(13,14)/rA:15nCCCCCCClClClOCCCOO/rB:s1;d2;s3;d4;d1s5;s6;s5;s3;s2;s10;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7Cl3O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.11022
Area:436.381
Solvation:-2.79931
Coulombic:-33.9192
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:269.508
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.34
LogP (Chemaxon):3.07

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Descriptor Annotations

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