amino 2-(2,4,5-trichlorophenoxy)acetate

C8H6Cl3NO3 — CID 56607198

IUPACamino 2-(2,4,5-trichlorophenoxy)acetate
SMILESNOC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C8H6Cl3NO3/c9-4-1-6(11)7(2-5(4)10)14-3-8(13)15-12/h1-2H,3,12H2
InChIKeyZNIWLLSAJOPHGC-UHFFFAOYSA-N
MW270.50 g/mol
LogP2.44
Rot. Bonds3

About amino 2-(2,4,5-trichlorophenoxy)acetate

amino 2-(2,4,5-trichlorophenoxy)acetate (PubChem CID 56607198) has the molecular formula C8H6Cl3NO3 and a molecular weight of 270.50 g/mol. Its IUPAC name is amino 2-(2,4,5-trichlorophenoxy)acetate.

Molecular Properties

Compound Nameamino 2-(2,4,5-trichlorophenoxy)acetate
PubChem CID56607198
Molecular FormulaC8H6Cl3NO3
Molecular Weight270.50 g/mol
Exact Mass268.94
IUPAC Nameamino 2-(2,4,5-trichlorophenoxy)acetate
SMILESNOC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C8H6Cl3NO3/c9-4-1-6(11)7(2-5(4)10)14-3-8(13)15-12/h1-2H,3,12H2
InChIKeyZNIWLLSAJOPHGC-UHFFFAOYSA-N
XLogP2.44
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(4-chlorophenyl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23735344
[2-(2,4,5-trichlorophenoxy)acetyl] 2,2,2-trichloroacetate
CID 88731720
benzyl 2-(2,4,5-trichlorophenoxy)acetate
CID 71395919
heptyl 2-(2,4,5-trichlorophenoxy)acetate
CID 102439223
2-methylbutyl 2-(2,4,5-trichlorophenoxy)acetate
CID 3024990
2-acetamidoethyl 2-(2,4,5-trichlorophenoxy)acetate
CID 8933011
[2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 8785732
[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23825650
[(1R,2S)-2-hydroxycyclohexyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 1019497
2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]oxyacetamide
CID 112550685
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 8785756
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 7999915

Frequently Asked Questions

What is the IUPAC name of amino 2-(2,4,5-trichlorophenoxy)acetate?
The IUPAC name of amino 2-(2,4,5-trichlorophenoxy)acetate (CID 56607198) is amino 2-(2,4,5-trichlorophenoxy)acetate.
What is the SMILES notation for amino 2-(2,4,5-trichlorophenoxy)acetate?
The canonical SMILES for amino 2-(2,4,5-trichlorophenoxy)acetate is NOC(=O)COc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of amino 2-(2,4,5-trichlorophenoxy)acetate?
The InChIKey is ZNIWLLSAJOPHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3NO3/c9-4-1-6(11)7(2-5(4)10)14-3-8(13)15-12/h1-2H,3,12H2.
What are the key properties of amino 2-(2,4,5-trichlorophenoxy)acetate?
amino 2-(2,4,5-trichlorophenoxy)acetate has a molecular weight of 270.50 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-(2,4,5-trichlorophenoxy)acetate is sourced from PubChem (CID 56607198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).