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

C₉H₉BrOCAS 21906-31-0213.07 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

Warning

H302 Harmful if swallowed100% of notifiers
H412 Harmful to aquatic life with long lasting effects100% of notifiers

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

Precautionary statements

P264, P270, P273, P301+P317, P330, P501

Identifiers

CAS number

21906-31-0

SMILES

CC(=O)CC1=CC=CC=C1Br

InChIKey

TZIAZLUAMDLDJF-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Bromophenylacetone

Work with 1-(2-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-(2-Fluorophenyl)-2-propanone2836-82-059 % similar 1-(2-Chlorophenyl)propan-2-one6305-95-959 % similar 2-Bromophenylacetic acid18698-97-056 % similar 1-(2-Methoxyphenyl)-2-propanone5211-62-156 % similar Methyl 2-(2-bromophenyl)acetate57486-69-856 % similar Phenylacetone103-79-753 % similar Indole-3-acetone1201-26-949 % similar 1-Bromo-2-ethylbenzene1973-22-447 % 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-(3-Bromophenyl)propan-2-one21906-32-1 1-(3-Bromo-4-methylphenyl)ethan-1-one40180-80-1 2-Bromo-1-indanol5400-80-6 1-(4-Bromophenyl)propan-2-one6186-22-7 2-Bromo-4'-methylacetophenone619-41-0

Elsewhere

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