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

C4H2BrNO2SCAS 88982-82-5208.03 g/mol

Open in Covalent MOL file
NSOOHBr
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 4-(Trifluoromethyl)thiazole-2-carboxylic acid944900-55-453 % 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

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

PubChem CAS Common Chemistry NIST WebBook