1-(3-Bromophenyl)propan-2-one

C₉H₉BrOCAS 21906-32-1213.07 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

Identifiers

CAS number

21906-32-1

SMILES

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

InChIKey

FQIZFAJMBXZVOL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-Bromophenylacetone

Work with 1-(3-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-(3-Chlorophenyl)propan-2-one14123-60-562 % similar 3-Fluorophenylacetone1737-19-562 % similar 3-Bromophenylacetic acid1878-67-760 % similar Methyl 2-(3-bromophenyl)acetate150529-73-059 % similar Phenylacetone103-79-758 % similar 3′-Methoxyphenyl-2-propanone3027-13-257 % similar 1-[3-(Trifluoromethyl)phenyl]-2-propanone21906-39-855 % similar 1-Bromo-3-ethylbenzene2725-82-852 % 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-Bromo-4-methylphenyl)ethan-1-one40180-80-1 2-Bromo-1-indanol5400-80-6 4-Methylphenacyl bromide619-41-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook