3-Bromothiophene-2-carboxylic acid

C₅H₃BrO₂SCAS 7311-64-0207.04 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₅H₃BrO₂S
Molar mass: 207.04 g/mol
Exact mass: 205.9037 Da
logP: 2.21Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 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

7311-64-0

SMILES

C1=CSC(=C1Br)C(=O)O

InChIKey

VQQLWBUTTMNMFT-UHFFFAOYSA-N

InChI

InChI=1S/C5H3BrO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8)

Weigh it out

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

Work with 3-Bromothiophene-2-carboxylic acid

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-Methyl-2-thiophenecarboxylic acid23806-24-856 % similar 3-Fluoro-2-thiophenecarboxylic acid32431-84-856 % similar 3-Chlorothiophene-2-carboxylic acid59337-89-256 % similar Methyl 3-bromothiophene-2-carboxylate26137-08-651 % similar 2,6-Dibromobenzoic acid601-84-348 % similar 3-Benzoyl-2-thiophenecarboxylic acid30006-03-247 % similar 2-Bromobenzoic acid88-65-347 % similar 2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-345 % similar

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

Same formula

5-Bromo-3-thiophenecarboxylic acid100523-84-0 4-Bromo-3-thiophenecarboxylic acid16694-17-0 4-Bromo-2-thiophenecarboxylic acid16694-18-1 2-Bromo-3-thiophenecarboxylic acid24287-95-4 5-Bromo-2-thiophenecarboxylic acid7311-63-9

Elsewhere

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