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

C9H9BrOCAS 6186-22-7213.07 g/mol

Open in Covalent MOL file
OBr
Aryl halideKetone

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
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

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

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 1-(p-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 2-Bromo-4'-methylacetophenone619-41-0

Elsewhere

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