chempirical

2-Bromo-1-(2-chloropyridin-4-yl)ethanone

C7H5BrClNOCAS 23794-16-3234.48 g/mol

Open in Covalent MOL file
NOBrCl
Alkyl halideAryl halideKetone

Properties

Molecular formula
C7H5BrClNO
Molar mass
234.48 g/mol
Exact mass
232.9243 Da
logP
2.31Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
23794-16-3
SMILES
C1=CN=C(C=C1C(=O)CBr)Cl
InChIKey
BZWBRLWSWBQIBX-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrClNO/c8-4-6(11)5-1-2-10-7(9)3-5/h1-3H,4H2

Weigh it out

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

Work with 2-Bromo-1-(2-chloropyridin-4-yl)ethanone

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-Chloroisonicotinamide100859-84-556 % similar 1-(2-Chloro-pyridin-4-yl)-ethanone23794-15-254 % similar 2-Bromo-1-(3,4-dichlorophenyl)ethanone2632-10-254 % similar 2-Bromo-1-(3-chlorophenyl)ethanone41011-01-254 % similar 2-Chloroisonicotinic acid6313-54-854 % similar 3-Bromophenacyl bromide18523-22-351 % similar 2′-Bromo-4-chloroacetophenone536-38-950 % similar Methyl 2-chloroisonicotinate58481-11-150 % similar

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

Elsewhere

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