5-Bromo-1-tetralone

C₁₀H₉BrOCAS 68449-30-9225.08 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₀H₉BrO
Molar mass: 225.08 g/mol
Exact mass: 223.9837 Da
logP: 2.97Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

68449-30-9

SMILES

C1CC2=C(C=CC=C2Br)C(=O)C1

InChIKey

DMXOUYZZHVHEQR-UHFFFAOYSA-N

InChI

InChI=1S/C10H9BrO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1,4-5H,2-3,6H2

Weigh it out

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

Names and synonyms

1 names

5-Bromo-1,2,3,4-tetrahydronaphthalen-1-one

Work with 5-Bromo-1-tetralone

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

4-Bromo-1-indanone15115-60-380 % similar 5-Hydroxy-1-tetralone28315-93-763 % similar 5-Methoxy-1-tetralone33892-75-058 % similar 1-Tetralone529-34-053 % similar 4-Chloroindan-1-one15115-59-050 % similar 4-Methyl-1-indanone24644-78-849 % similar 4-Hydroxyindan-1-one40731-98-449 % similar 4-Fluoro-1-indanone699-99-049 % similar

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

Same formula

7-Bromo-1-tetralone32281-97-3 6-Bromo-2-tetralone4133-35-1 8-Bromo-3,4-dihydro-2H-naphthalen-1-one651735-60-3 6-Bromo-1-tetralone66361-67-9 (4-Bromophenyl)cyclopropylmethanone6952-89-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook