4-Bromo-1,3-thiazole-2-carboxylic acid

C₄H₂BrNO₂SCAS 88982-82-5208.03 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₄H₂BrNO₂S
Molar mass: 208.03 g/mol
Exact mass: 206.8990 Da
logP: 1.60Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 3
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

88982-82-5

SMILES

C1=C(N=C(S1)C(=O)O)Br

InChIKey

AYUAEJPYEJEHJN-UHFFFAOYSA-N

InChI

InChI=1S/C4H2BrNO2S/c5-2-1-9-3(6-2)4(7)8/h1H,(H,7,8)

Weigh it out

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

Work with 4-Bromo-1,3-thiazole-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

4-Methyl-2-thiazolecarboxylic acid14542-16-658 % similar 4-(1-Methylethyl)-2-thiazolecarboxylic acid300831-06-554 % similar 2,6-Dibromopyridine-4-carboxylic acid2016-99-148 % similar 6-Bromopyridine-2-carboxylic acid21190-87-444 % similar Thiazole-2-carboxylic acid14190-59-144 % similar 3-Amino-6-bromo-2-pyrazinecarboxylic acid486424-37-744 % similar 2,6-Dibromo-3-pyridinecarboxylic acid55304-85-343 % similar 5-Bromo-3-thiophenecarboxylic acid100523-84-043 % similar

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

Same formula

2-Bromo-5-nitrothiophene13195-50-1 2-Bromo-4-thiazolecarboxylic acid5198-88-9 2-Bromo-5-thiazolecarboxylic acid54045-76-0

Elsewhere

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