chempirical

Palmitoyl chloride

C16H31ClOCAS 112-67-4274.87 g/mol

Open in Covalent MOL file
OCl
Acyl halide

Properties

Molecular formula
C16H31ClO
Molar mass
274.87 g/mol
Exact mass
274.2063 Da
Melting point
11–12 °C
Boiling point
199 °C (at 20 Torr)
logP
6.23Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
14

Identifiers

CAS number
112-67-4
SMILES
CCCCCCCCCCCCCCCC(=O)Cl
InChIKey
ARBOVOVUTSQWSS-UHFFFAOYSA-N
InChI
InChI=1S/C16H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3

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Names and synonyms

6 names
  • Hexadecanoyl chloride
  • Palmitic acid chloride
  • Hexadecanoic acid chloride
  • Palmitic chloride
  • Palmityl acid chloride
  • NSC 9854

Work with Palmitoyl 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

Octanoyl chloride111-64-8100 % similar Decanoyl chloride112-13-0100 % similar Lauroyl chloride112-16-3100 % similar Tetradecanoyl chloride112-64-1100 % similar Stearoyl chloride112-76-5100 % similar Undecanoyl chloride17746-05-3100 % similar Heptanoyl chloride2528-61-2100 % similar Nonanoyl chloride764-85-2100 % similar

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

Elsewhere

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