chempirical

3-Bromooxetane

C3H5BrOCAS 39267-79-3136.98 g/mol

Open in Covalent MOL file
OBr
Alkyl halideEther

Properties

Molecular formula
C3H5BrO
Molar mass
136.98 g/mol
Exact mass
135.9524 Da
logP
0.78Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
39267-79-3
SMILES
C1C(CO1)Br
InChIKey
SZTIZZFKWQWSSP-UHFFFAOYSA-N
InChI
InChI=1S/C3H5BrO/c4-3-1-5-2-3/h3H,1-2H2

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Names and synonyms

1 names
  • 3-Bromo-oxetane

Work with 3-Bromooxetane

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

3-Bromotetrahydrofuran19311-37-656 % similar 4-Bromotetrahydropyran25637-16-544 % similar Hexabromocyclododecane25637-99-440 % similar Bromocyclopropane4333-56-640 % similar Bromocyclopentane137-43-935 % similar 3,6-Dioxabicyclo[3.1.0]hexane285-69-835 % similar Bromocyclobutane4399-47-735 % similar 1,2,3-Tribromopropane96-11-735 % similar

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

Same formula

2-(Bromomethyl)oxirane3132-64-7 Propanoyl bromide598-22-1 Bromoacetone598-31-2

Elsewhere

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