chempirical

Sebacoyl chloride

C10H16Cl2O2CAS 111-19-3239.14 g/mol

Open in Covalent MOL file
OClOCl
Acyl halide

Properties

Molecular formula
C10H16Cl2O2
Molar mass
239.14 g/mol
Exact mass
238.0527 Da
Density
1.1375 g/mL (at 0 °C)
Melting point
−2.5 °C
Boiling point
152 °C (at 12 Torr)
logP
3.64Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
9

Identifiers

CAS number
111-19-3
SMILES
O=C(Cl)CCCCCCCCC(=O)Cl
InChIKey
WMPOZLHMGVKUEJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H16Cl2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2

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Names and synonyms

10 names
  • Decanedioyl dichloride
  • Sebacoyl dichloride
  • Sebacyl chloride
  • Decanedioyl chloride
  • Sebacic acid dichloride
  • Sebacic acid chloride
  • Sebacic dichloride
  • Decanedioic dichloride
  • Decanedioic acid dichloride
  • NSC 56763

Work with Sebacoyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Suberoyl chloride10027-07-3100 % similar Azelaoyl chloride123-98-8100 % similar Adipoyl chloride111-50-293 % similar Glutaryl chloride2873-74-781 % similar Octanoyl chloride111-64-871 % similar Decanoyl chloride112-13-071 % similar Lauroyl chloride112-16-371 % similar Tetradecanoyl chloride112-64-171 % similar

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

Elsewhere

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