chempirical

4-Bromo-3-methylthiophene-2-carbonyl chloride

C6H4BrClOSCAS 265652-36-6239.51 g/mol

Open in Covalent MOL file
SBrOCl
Acyl halideAryl halide

Properties

Molecular formula
C6H4BrClOS
Molar mass
239.51 g/mol
Exact mass
237.8855 Da
logP
3.20Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
265652-36-6
SMILES
CC1=C(SC=C1Br)C(=O)Cl
InChIKey
LQDVGTOWGBSXPJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrClOS/c1-3-4(7)2-10-5(3)6(8)9/h2H,1H3

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Names and synonyms

1 names
  • 4-Bromo-3-methyl-2-thiophenecarbonyl chloride

Work with 4-Bromo-3-methylthiophene-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-Methylthiophene-2-carbonyl chloride61341-26-243 % similar 2-Bromobenzoyl chloride7154-66-739 % similar 2,3-Dimethylbenzene-1-carbonyl chloride21900-46-938 % similar 3-Chlorothiophene-2-carbonyl chloride86427-02-337 % similar 2-Bromo-5-methoxybenzoyl chloride56658-04-934 % similar 2-Bromo-5-fluorobenzoyl chloride111771-13-233 % similar 3-Bromo-4-fluorobenzoyl chloride672-75-333 % similar 3,5-Dibromo-4-methylbenzoic acid67973-32-433 % similar

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

Same formula

2-Bromo-1-(5-chloro-thiophen-2-yl)-ethanone57731-17-6

Elsewhere

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