chempirical

2-Propen-1-yl 2-chloroacetate

C5H7ClO2CAS 2916-14-5134.56 g/mol

Open in Covalent MOL file
OOCl
AlkeneAlkyl halideEster

Properties

Molecular formula
C5H7ClO2
Molar mass
134.56 g/mol
Exact mass
134.0135 Da
Density
1.1469 g/mL (at 20 °C)
Boiling point
68–69 °C (at 20 Torr)
logP
0.95Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
2916-14-5
SMILES
C=CCOC(=O)CCl
InChIKey
VMBJJCDVORDOCF-UHFFFAOYSA-N
InChI
InChI=1S/C5H7ClO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2

Weigh it out

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

Names and synonyms

6 names
  • Acetic acid, 2-chloro-, 2-propen-1-yl ester
  • Acetic acid, chloro-, allyl ester
  • Acetic acid, chloro-, 2-propenyl ester
  • Allyl chloroacetate
  • NSC 44997
  • Chloroacetic acid allyl ester

Work with 2-Propen-1-yl 2-chloroacetate

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

1,6-Di-2-propen-1-yl hexanedioate2998-04-161 % similar Allyl propionate2408-20-059 % similar Allyl butyrate2051-78-755 % similar Allyl acetoacetate1118-84-953 % similar 2-Propen-1-yl 2-cyanoacetate13361-32-553 % similar Allyl chloroformate2937-50-052 % similar Allyl hexanoate123-68-250 % similar Allyl heptanoate142-19-849 % similar

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

Same formula

3-Chloro-2,4-pentanedione1694-29-7 Chloroethyl acrylate2206-89-5 3-Chlorocyclobutane-1-carboxylic acid35207-71-7 3-Ethoxy-2-propenoyl chloride6191-99-7

Elsewhere

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