chempirical

Cyclobutanecarbonyl chloride

C5H7ClOCAS 5006-22-4118.56 g/mol

Open in Covalent MOL file
OCl
Acyl halide

Properties

Molecular formula
C5H7ClO
Molar mass
118.56 g/mol
Exact mass
118.0185 Da
Melting point
151–152 °C
Boiling point
137 °C (at 750 Torr)
logP
1.55Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
5006-22-4
SMILES
O=C(Cl)C1CCC1
InChIKey
JFWMYCVMQSLLOO-UHFFFAOYSA-N
InChI
InChI=1S/C5H7ClO/c6-5(7)4-2-1-3-4/h4H,1-3H2

Weigh it out

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

Names and synonyms

6 names
  • Cyclobutanecarboxylic acid chloride
  • Cyclobutanoyl chloride
  • Cyclobutylcarbonyl chloride
  • Cyclobutylcarboxylic acid chloride
  • NSC 93778
  • Cyclobutanecarboxylic chloride

Work with Cyclobutanecarbonyl 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

Cyclopentanecarbonyl chloride4524-93-089 % similar Cyclohexanecarbonyl chloride2719-27-984 % similar Cyclopropanecarbonyl chloride4023-34-178 % similar 2-Propylpentanoyl chloride2936-08-561 % similar 2-Ethylhexanoyl chloride760-67-856 % similar 2-Ethylbutyryl chloride2736-40-552 % similar 1-Acetyl-4-piperidinecarbonyl chloride59084-16-148 % similar Cyclobutanecarboxylic acid3721-95-742 % similar

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

Same formula

3-Methyl-2-butenoyl chloride3350-78-5 2-Chlorocyclopentanone694-28-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook