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Chemical ID: 6422969
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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