6-Bromo-1-tetralone

C10H9BrOCAS 66361-67-9225.08 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
66361-67-9
SMILES
C1CC2=C(C=CC(=C2)Br)C(=O)C1
InChIKey
OSDHOOBPMBLALZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H9BrO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3H2

Weigh it out

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

Names and synonyms

1 names
  • 6-Bromo-tetral-1-on

Work with 6-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

5-Bromo-1-indanone34598-49-781 % similar 6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone3470-50-666 % similar 6-Chloro-1-tetralone26673-31-461 % similar 6-Amino-1,2,3,4-tetrahydronaphthalen-1-one3470-53-961 % similar 6-Bromoindanone14548-39-160 % similar 6-Methoxy-1-tetralone1078-19-956 % similar 1-Tetralone529-34-056 % similar 6-Bromo-3,4-dihydro-2H-isoquinolin-1-one147497-32-355 % 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 5-Bromo-1-tetralone68449-30-9 (4-Bromophenyl)cyclopropylmethanone6952-89-2

Elsewhere

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