chempirical

4-Bromotetrahydropyran

C5H9BrOCAS 25637-16-5165.03 g/mol

Open in Covalent MOL file
OBr
Alkyl halideEther

Properties

Molecular formula
C5H9BrO
Molar mass
165.03 g/mol
Exact mass
163.9837 Da
logP
1.56Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
25637-16-5
SMILES
C1COCCC1Br
InChIKey
IVBVKTPDEWDNRW-UHFFFAOYSA-N
InChI
InChI=1S/C5H9BrO/c6-5-1-3-7-4-2-5/h5H,1-4H2

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Names and synonyms

1 names
  • 4-Bromo-tetrahydropyran

Work with 4-Bromotetrahydropyran

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-Bromotetrahydrofuran19311-37-667 % similar Bromocyclopropane4333-56-653 % similar Bromocyclopentane137-43-947 % similar Bromocyclobutane4399-47-747 % similar Bromocyclohexane108-85-044 % similar Bromocyclooctane1556-09-844 % similar Bromocycloheptane2404-35-544 % similar 3-Bromooxetane39267-79-344 % similar

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

Same formula

2-(Bromomethyl)tetrahydrofuran1192-30-9 3-(Bromomethyl)tetrahydrofuran165253-29-2 1-Bromo-3-methylbutan-2-one19967-55-6 3-(Bromomethyl)-3-methyloxetane78385-26-9

Elsewhere

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