1-(4-Bromophenyl)-3-chloro-1-propanone

C₉H₈BrClOCAS 31736-73-9247.52 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₉H₈BrClO
Molar mass: 247.52 g/mol
Exact mass: 245.9447 Da
logP: 3.26Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Identifiers

CAS number

31736-73-9

SMILES

O=C(CCCl)c1ccc(Br)cc1

InChIKey

SYWQQEVHZPPLNQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H8BrClO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5-6H2

Weigh it out

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

Names and synonyms

8 names

1-Propanone, 1-(4-bromophenyl)-3-chloro-
Propiophenone, 4′-bromo-3-chloro-
4′-Bromo-3-chloropropiophenone
4-Bromophenyl 2-chloroethyl ketone
NSC 36071
p-Bromo-3-chloropropiophenone
p-Bromophenyl β-chloroethyl ketone
3-Chloro-1-(4-bromophenyl)propan-1-one

Work with 1-(4-Bromophenyl)-3-chloro-1-propanone

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-Bromophenyl)-2-chloroethanone4209-02-367 % similar 3-Chloro-1-(4-chlorophenyl)-1-propanone3946-29-065 % similar 3-Chloropropiophenone936-59-463 % similar 3-Chloro-4′-fluoropropiophenone347-93-363 % similar 1-(4-Bromophenyl)-1-butanone4981-64-063 % similar 4-Bromo-γ-oxobenzenebutanoic acid6340-79-059 % similar 1-(4-Bromophenyl)-1-pentanone7295-44-559 % similar 4-Bromophenacyl bromide99-73-058 % similar

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

Same formula

2-Bromo-1-(3-chlorophenyl)-1-propanone34911-51-8 2-Bromo-1-(4-chlorophenyl)-1-propanone877-37-2

Elsewhere

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