2,4-D Isobutyl ester

C₁₂H₁₄Cl₂O₃CAS 1713-15-1277.14 g/mol

Open in Covalent MOL file

Aryl halide Ester Ether

Properties

Molecular formula: C₁₂H₁₄Cl₂O₃
Molar mass: 277.14 g/mol
Exact mass: 276.0320 Da
Boiling point: 133–134 °C (at 1 Torr)
logP: 3.57Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Identifiers

CAS number

1713-15-1

SMILES

CC(C)COC(=O)COc1ccc(Cl)cc1Cl

InChIKey

GPSGZZSRFJXXBA-UHFFFAOYSA-N

InChI

InChI=1S/C12H14Cl2O3/c1-8(2)6-17-12(15)7-16-11-4-3-9(13)5-10(11)14/h3-5,8H,6-7H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Acetic acid, 2-(2,4-dichlorophenoxy)-, 2-methylpropyl ester
Acetic acid, (2,4-dichlorophenoxy)-, isobutyl ester
Acetic acid, (2,4-dichlorophenoxy)-, 2-methylpropyl ester
Isobutyl 2,4-dichlorophenoxyacetate
2,4-Dichlorophenoxyacetic acid isobutyl ester
Isobutyl 2,4-D
NSC 409768

Work with 2,4-D Isobutyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 2,4-dichlorophenoxyacetate533-23-370 % similar 2,4-D Methyl ester1928-38-766 % similar 2,4-Dichlorophenoxyacetic acid94-75-758 % similar Aminol2008-39-154 % similar Sodium (2,4-dichlorophenoxy)acetate2702-72-951 % similar Dichlorprop120-36-548 % similar Mcpa methyl ester2436-73-948 % similar 2,4-Db94-82-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Butyl (2,4-dichlorophenoxy)acetate94-80-4

Elsewhere

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