5-Bromo-1-tetralone

C10H9BrOCAS 68449-30-9225.08 g/mol

Open in Covalent MOL file
BrO
Aryl halideKetone

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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