Chloromethyl 2-methylpropanoate

C₅H₉ClO₂CAS 61644-18-6136.57 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
logP: 1.38Crippen 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

61644-18-6

SMILES

CC(C)C(=O)OCCl

InChIKey

ILUWVORABZTBIU-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Chloromethyl isobutyrate

Work with Chloromethyl 2-methylpropanoate

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 isobutyrate97-62-158 % similar Isobutyl isobutyrate97-85-856 % similar Propyl isobutyrate644-49-554 % similar Isoamyl isobutyrate2050-01-352 % similar Isobutyric anhydride97-72-350 % similar Butyl isobutyrate97-87-050 % similar Hexyl isobutyrate2349-07-747 % similar Chloromethyl 1-methylethyl carbonate35180-01-947 % similar

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

Same formula

Isopropyl chloroacetate105-48-6 5-Chloropentanoic acid1119-46-6 Beta-Chloropivalic acid13511-38-1 1-Methylpropyl carbonochloridate17462-58-7 (2S)-2-Chloro-3-methylbutanoic acid26782-74-1 Methyl 4-chlorobutyrate3153-37-5 Chloromethyl butanoate33657-49-7 Ethyl 2-chloropropionate535-13-7

Elsewhere

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