chempirical

3-Bromocyclobutanone

C4H5BrOCAS 23761-24-2148.99 g/mol

Open in Covalent MOL file
OBr
Alkyl halideKetone

Properties

Molecular formula
C4H5BrO
Molar mass
148.99 g/mol
Exact mass
147.9524 Da
Boiling point
29 °C (at 1.8 Torr)
logP
1.11Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
23761-24-2
SMILES
O=C1CC(Br)C1
InChIKey
SMBXPJHSQKKYFY-UHFFFAOYSA-N
InChI
InChI=1S/C4H5BrO/c5-3-1-4(6)2-3/h3H,1-2H2

Weigh it out

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

Names and synonyms

2 names
  • Cyclobutanone, 3-bromo-
  • 3-Bromocyclobutan-1-one

Work with 3-Bromocyclobutanone

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

Isobutyl ketone108-83-843 % similar 3-Aminocyclobutan-1-one hydrochloride1035374-20-938 % similar 4-Oxo-1,2-cyclopentanedicarboxylic acid1703-61-338 % similar 1,3-Dibromo-2-propanone816-39-735 % similar Tropinone532-24-135 % similar 2,6,8-Trimethyl-4-nonanone123-18-232 % similar Pseudopelletierine552-70-532 % similar 3-Methylcyclopentanone1757-42-231 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook