1-(4-Bromophenyl)propan-2-one

C₉H₉BrOCAS 6186-22-7213.07 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₉H₉BrO
Molar mass: 213.07 g/mol
Exact mass: 211.9837 Da
logP: 2.58Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

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

6186-22-7

SMILES

CC(=O)CC1=CC=C(C=C1)Br

InChIKey

CFMMTXJMIJRUSH-UHFFFAOYSA-N

InChI

InChI=1S/C9H9BrO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3

Weigh it out

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Names and synonyms

1 names

4-Bromophenylacetone

Work with 1-(4-Bromophenyl)propan-2-one

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

1-(4-Methylphenyl)propan-2-one2096-86-864 % similar 4-Ethylphenylacetone75251-24-064 % similar 4-Hydroxyphenylacetone770-39-864 % similar Phenylacetone103-79-763 % similar (4-Fluorophenyl)acetone459-03-062 % similar (4-Chlorophenyl)acetone5586-88-962 % similar 4-Pyridylacetone6304-16-159 % similar 4-Methoxyphenylacetone122-84-958 % similar

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

Same formula

4′-Bromopropiophenone10342-83-3 1-(3-Bromophenyl)-1-propanone19829-31-3 α-Bromopropiophenone2114-00-3 1-(2-Bromophenyl)propan-2-one21906-31-0 1-(3-Bromophenyl)propan-2-one21906-32-1 1-(3-Bromo-4-methylphenyl)ethan-1-one40180-80-1 2-Bromo-1-indanol5400-80-6 4-Methylphenacyl bromide619-41-0

Elsewhere

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