chempirical

3',5'-Dichloroacetophenone

C8H6Cl2OCAS 14401-72-0189.03 g/mol

Open in Covalent MOL file
OClCl
Aryl halideKetone

Properties

Molecular formula
C8H6Cl2O
Molar mass
189.03 g/mol
Exact mass
187.9796 Da
logP
3.20Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
14401-72-0
SMILES
CC(=O)C1=CC(=CC(=C1)Cl)Cl
InChIKey
JGMBBKVZFUHCJC-UHFFFAOYSA-N
InChI
InChI=1S/C8H6Cl2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3

Weigh it out

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

Work with 3',5'-Dichloroacetophenone

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-(3-Chloro-5-fluorophenyl)ethanone842140-52-771 % similar 1-(3-Chlorophenyl)ethanone99-02-567 % similar P-Chloroacetophenone99-91-262 % similar 1,3-Diacetylbenzene6781-42-654 % similar 1-(4-Amino-3,5-dichlorophenyl)ethanone37148-48-453 % similar 1-(3,5-Dibromophenyl)ethanone14401-73-152 % similar 3,5-Dichlorobenzoyl chloride2905-62-652 % similar 3',5'-Difluoroacetophenone123577-99-150 % similar

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

Same formula

1-(2,6-Dichlorophenyl)ethanone2040-05-3 2′,4′-Dichloroacetophenone2234-16-4 1-(2,5-Dichlorophenyl)ethanone2476-37-1 4-Chlorobenzeneacetyl chloride25026-34-0 3′,4′-Dichloroacetophenone2642-63-9 2,2-Dichloroacetophenone2648-61-5 α-Chlorobenzeneacetyl chloride2912-62-1 2-(Chloromethyl)benzoyl chloride42908-86-1

Elsewhere

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