chempirical

3-Chlorobenzo(b)thiophene-2-carbonyl chloride

C9H4Cl2OSCAS 21815-91-8231.09 g/mol

Open in Covalent MOL file
SOClCl
Acyl halideAryl halide

Properties

Molecular formula
C9H4Cl2OS
Molar mass
231.09 g/mol
Exact mass
229.9360 Da
logP
3.93Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
21815-91-8
SMILES
C1=CC=C2C(=C1)C(=C(S2)C(=O)Cl)Cl
InChIKey
GWKSSMDJEWPKCM-UHFFFAOYSA-N
InChI
InChI=1S/C9H4Cl2OS/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H

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Names and synonyms

1 names
  • 3-Chlorobenzo[B]thiophene-2-carbonyl chloride

Work with 3-Chlorobenzo(b)thiophene-2-carbonyl chloride

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

3-Chlorobenzo[b]thiophene-2-carboxylic acid21211-22-364 % similar Methyl 3-chlorobenzo[B]thiophene-2-carboxylate21211-07-459 % similar Benzo[B]thiophene-2-carbonyl chloride39827-11-744 % similar 1-Naphthoyl chloride879-18-543 % similar 2-Acetyl-3-methylbenzo[B]thiophene18781-31-241 % similar Anthracene-9-carbonyl chloride16331-52-539 % similar 2,3-Dichlorobenzoyl chloride2905-60-439 % similar Phthaloyl chloride88-95-939 % similar

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

Elsewhere

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