chempirical

Acryloyl chloride

C3H3ClOCAS 814-68-690.51 g/mol

Open in Covalent MOL file
OCl
Acyl halideAlkene

Properties

Molecular formula
C3H3ClO
Molar mass
90.51 g/mol
Exact mass
89.9872 Da
Density
1.1136 g/mL (at 20 °C)
Melting point
76 °C
Boiling point
75 °C
logP
0.94Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
814-68-6
SMILES
C=CC(=O)Cl
InChIKey
HFBMWMNUJJDEQZ-UHFFFAOYSA-N
InChI
InChI=1S/C3H3ClO/c1-2-3(4)5/h2H,1H2

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Names and synonyms

6 names
  • 2-Propenoyl chloride
  • Acrylyl chloride
  • Acrylic acid chloride
  • Propenoyl chloride
  • NSC 93770
  • A 0147

Work with Acryloyl chloride

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

2-Butenoyl chloride10487-71-541 % similar trans-Crotonyl chloride625-35-441 % similar 3-Methyl-2-butenoyl chloride3350-78-539 % similar Chloroprene126-99-838 % similar Neoprene9010-98-438 % similar 1-Penten-3-one1629-58-938 % similar Acrylic anhydride2051-76-536 % similar Methyl vinyl ketone78-94-436 % similar

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

Elsewhere

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