Ethyl 2-chloropropionate

C₅H₉ClO₂CAS 535-13-7136.57 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₅H₉ClO₂
Molar mass: 136.57 g/mol
Exact mass: 136.0291 Da
Boiling point: 147 °C
logP: 1.18Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

535-13-7

SMILES

CCOC(=O)C(C)Cl

InChIKey

JEAVBVKAYUCPAQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H9ClO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3

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

Names and synonyms

7 names

Propanoic acid, 2-chloro-, ethyl ester
Propionic acid, 2-chloro-, ethyl ester
Ethyl α-chloropropionate
Ethyl 2-chloropropanoate
(2RS)-2-Chloropropionic acid ethyl ester
2-Chloropropanoic acid ethyl ester
NSC 522671

Work with Ethyl 2-chloropropionate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Diethyl 2-chloropropanedioate14064-10-963 % similar Isobutyl L-(-)-2-chloropropionate83261-15-862 % similar Diethyl methylmalonate609-08-559 % similar Ethyl isobutyrate97-62-159 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-358 % similar 1,3-Diethyl 2-(1-methylethyl)propanedioate759-36-455 % similar Methyl 2-chloropropionate17639-93-954 % similar Ethyl cyclopropanecarboxylate4606-07-954 % similar

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

Same formula

Isopropyl chloroacetate105-48-6 5-Chloropentanoic acid1119-46-6 3-Chloro-2,2-dimethylpropanoic acid13511-38-1 1-Methylpropyl carbonochloridate17462-58-7 (2S)-2-Chloro-3-methylbutanoic acid26782-74-1 Methyl 4-chlorobutyrate3153-37-5 Isobutyl chloroformate543-27-1 Butyl chloroformate592-34-7

Elsewhere

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