2,4-D Methyl ester

C₉H₈Cl₂O₃CAS 1928-38-7235.06 g/mol

Open in Covalent MOL file

Aryl halide Ester Ether

Properties

Molecular formula: C₉H₈Cl₂O₃
Molar mass: 235.06 g/mol
Exact mass: 233.9850 Da
Melting point: 119 °C
Boiling point: 119 °C (at 1 Torr)
logP: 2.55Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

1928-38-7

SMILES

COC(=O)COc1ccc(Cl)cc1Cl

InChIKey

HWIGZMADSFQMOI-UHFFFAOYSA-N

InChI

InChI=1S/C9H8Cl2O3/c1-13-9(12)5-14-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3

Weigh it out

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

Names and synonyms

5 names

Acetic acid, 2-(2,4-dichlorophenoxy)-, methyl ester
Acetic acid, (2,4-dichlorophenoxy)-, methyl ester
Methyl (2,4-dichlorophenoxy)acetate
(2,4-Dichlorophenoxy)acetic acid methyl ester
NSC 9399

Work with 2,4-D Methyl 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

Mcpa methyl ester2436-73-973 % similar Ethyl 2,4-dichlorophenoxyacetate533-23-371 % similar 2,4-D Isobutyl ester1713-15-166 % similar Butyl (2,4-dichlorophenoxy)acetate94-80-464 % similar Methyl 2,4-dichlorobenzeneacetate55954-23-961 % similar 2,4-Dichlorophenoxyacetic acid94-75-761 % similar Sodium (2,4-dichlorophenoxy)acetate2702-72-957 % similar Aminol2008-39-157 % similar

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

Same formula

Dichlorprop120-36-5 Ethyl 3,5-dichloro-4-hydroxybenzoate17302-82-8

Elsewhere

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