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

C₆H₄BrClOSCAS 265652-36-6239.51 g/mol

Open in Covalent MOL file

Acyl halide Aryl 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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

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

Weigh it out

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

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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