Ethyl 7-chloro-2-oxoheptanoate

C₉H₁₅ClO₃CAS 78834-75-0206.67 g/mol

Open in Covalent MOL file

Alkyl halide Ester Ketone

Properties

Molecular formula: C₉H₁₅ClO₃
Molar mass: 206.67 g/mol
Exact mass: 206.0710 Da
logP: 1.92Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 7

Identifiers

CAS number

78834-75-0

SMILES

CCOC(=O)C(=O)CCCCCCl

InChIKey

YJJLIIMRHGRCFM-UHFFFAOYSA-N

InChI

InChI=1S/C9H15ClO3/c1-2-13-9(12)8(11)6-4-3-5-7-10/h2-7H2,1H3

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Names and synonyms

1 names

Heptanoic acid, 7-chloro-2-oxo-, ethyl ester

Work with Ethyl 7-chloro-2-oxoheptanoate

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-oxopentanoate50461-74-058 % similar Ethyl 2-oxobutanoate15933-07-052 % similar Ethyl 4-chlorobutyrate3153-36-451 % similar Ethyl bromopyruvate70-23-549 % similar Ethyl α-oxobenzenebutanoate64920-29-248 % similar Diethyl oxalacetate108-56-547 % similar Ethyl 3-chloropropionate623-71-246 % similar Ethyl 2,4-dioxohexanoate13246-52-145 % similar

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

Same formula

1-Chloroethyl cyclohexyl carbonate99464-83-2

Elsewhere

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