Methyl 2-(3,4-dichlorophenyl)acetate

C₉H₈Cl₂O₂CAS 6725-44-6219.06 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₉H₈Cl₂O₂
Molar mass: 219.06 g/mol
Exact mass: 217.9901 Da
logP: 2.71Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6725-44-6

SMILES

COC(=O)CC1=CC(=C(C=C1)Cl)Cl

InChIKey

FWVOAIHAIWHHDM-UHFFFAOYSA-N

InChI

InChI=1S/C9H8Cl2O2/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3

Weigh it out

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

Names and synonyms

1 names

Methyl 3,4-dichlorophenylacetate

Work with Methyl 2-(3,4-dichlorophenyl)acetate

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

Methyl 4-chlorobenzeneacetate52449-43-163 % similar Methyl 2-chlorobenzeneacetate57486-68-759 % similar Methyl 3-fluorophenylacetate64123-77-958 % similar Methyl 2-(3-bromophenyl)acetate150529-73-056 % similar Methyl 3-methoxyphenylacetate18927-05-456 % similar Methyl 3-hydroxyphenylacetate42058-59-356 % similar p-Tolylacetic acid methyl ester23786-13-256 % similar Methyl phenylacetate101-41-754 % similar

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

Same formula

3-(3,4-Dichlorophenyl)propionic acid25173-68-6 Ethyl 2,5-dichlorobenzoate35112-27-7 3-(2,4-Dichlorophenyl)propionic acid55144-92-8 Methyl 2,4-dichlorobenzeneacetate55954-23-9 Ethyl 2,4-dichlorobenzoate56882-52-1 Ethyl 3,5-dichlorobenzoate91085-56-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook