7-Bromo-1-tetralone

C₁₀H₉BrOCAS 32281-97-3225.08 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

Warning

H302 Harmful if swallowed97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

32281-97-3

SMILES

C1CC2=C(C=C(C=C2)Br)C(=O)C1

InChIKey

YGVDCGFUUUJCDF-UHFFFAOYSA-N

InChI

InChI=1S/C10H9BrO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3H2

Weigh it out

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

Names and synonyms

1 names

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

Work with 7-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

6-Bromoindanone14548-39-181 % similar 3,4-Dihydro-7-hydroxy-1(2H)-naphthalenone22009-38-766 % similar 7-Methyl-1-tetralone22009-37-661 % similar 7-Chloro-1,2,3,4-tetrahydronaphthalen-1-one26673-32-561 % similar 7-Fluoro-1-tetralone2840-44-061 % similar 5-Bromo-1-indanone34598-49-760 % similar 7-Methoxy-1-tetralone6836-19-756 % similar 1-Tetralone529-34-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-2-tetralone4133-35-1 8-Bromo-3,4-dihydro-2H-naphthalen-1-one651735-60-3 6-Bromo-1-tetralone66361-67-9 5-Bromo-1-tetralone68449-30-9 (4-Bromophenyl)cyclopropylmethanone6952-89-2

Elsewhere

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