Ethyl 2-chloroethoxyacetate

C₆H₁₁ClO₃CAS 17229-14-0166.60 g/mol

Open in Covalent MOL file

Alkyl halide Ester Ether

Properties

Molecular formula: C₆H₁₁ClO₃
Molar mass: 166.60 g/mol
Exact mass: 166.0397 Da
Boiling point: 79–81 °C (at 10 Torr)
logP: 0.80Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Identifiers

CAS number

17229-14-0

SMILES

CCOC(=O)COCCCl

InChIKey

CVYKQPLWSDHSSV-UHFFFAOYSA-N

InChI

InChI=1S/C6H11ClO3/c1-2-10-6(8)5-9-4-3-7/h2-5H2,1H3

Weigh it out

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

Names and synonyms

4 names

Acetic acid, 2-(2-chloroethoxy)-, ethyl ester
Acetic acid, (2-chloroethoxy)-, ethyl ester
1-Chloro-2-(ethoxycarbonylmethoxy)ethane
(2-Chloroethoxy)acetic acid ethyl ester

Work with Ethyl 2-chloroethoxyacetate

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 ethoxyacetate817-95-864 % similar Ethyl 3-chloropropionate623-71-260 % similar Ethyl 4-chlorobutyrate3153-36-456 % similar Ethyl chloroacetate105-39-553 % similar Ethyl 2-methoxyacetate3938-96-352 % similar 2-(2-Chloroethoxy)acetic acid14869-41-150 % similar 1-Chloro-2-ethoxyethane628-34-250 % similar Ethyl 3-ethoxypropionate763-69-950 % similar

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

Same formula

Ethyl 4-chloro-3-hydroxybutyrate10488-69-4 Ethyl (3S)-4-chloro-3-hydroxybutanoate86728-85-0 1-Chloroethyl 1-methylethyl carbonate98298-66-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook