chempirical

2-Bromo-1-(3-chlorophenyl)-1-propanone

C9H8BrClOCAS 34911-51-8247.52 g/mol

Open in Covalent MOL file
BrOCl
Alkyl halideAryl halideKetone

Properties

Molecular formula
C9H8BrClO
Molar mass
247.52 g/mol
Exact mass
245.9447 Da
Density
1.5316 g/mL (at 20 °C)
Boiling point
148–148.5 °C (at 9 Torr)
logP
3.31Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
34911-51-8
SMILES
CC(Br)C(=O)c1cccc(Cl)c1
InChIKey
OFNMQTRHMBQQEA-UHFFFAOYSA-N
InChI
InChI=1S/C9H8BrClO/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6H,1H3

Weigh it out

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

Names and synonyms

6 names
  • 1-Propanone, 2-bromo-1-(3-chlorophenyl)-
  • Propiophenone, 2-bromo-3′-chloro-
  • 2-Bromo-3′-chloropropiophenone
  • α-Bromo-m-chloropropiophenone
  • α-Bromo-3-chloropropiophenone
  • 2-Bromo-1-(3-chlorophenyl)propan-1-one

Work with 2-Bromo-1-(3-chlorophenyl)-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

2-Bromo-1-(3-methylphenyl)-1-propanone1451-83-866 % similar α-Bromopropiophenone2114-00-363 % similar (±)-Bupropion34911-55-256 % similar Bupropion hydrochloride31677-93-752 % similar 1-(3-Chlorophenyl)ethanone99-02-551 % similar 3-Chlorobenzoyl chloride618-46-249 % similar m-Chlorobenzoic acid methyl ester2905-65-947 % similar 1-(3-Chlorophenyl)-1-propanone34841-35-547 % similar

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

Same formula

1-(4-Bromophenyl)-3-chloro-1-propanone31736-73-9 2-Bromo-1-(4-chlorophenyl)-1-propanone877-37-2

Elsewhere

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