2-bromo-4-thiazolecarboxylic acid - CAS 5198-88-9
Catalog: |
BB027675 |
Product Name: |
2-bromo-4-thiazolecarboxylic acid |
CAS: |
5198-88-9 |
Synonyms: |
2-bromo-4-thiazolecarboxylic acid; 2-bromo-1,3-thiazole-4-carboxylic acid |
IUPAC Name: | 2-bromo-1,3-thiazole-4-carboxylic acid |
Description: | 2-bromo-4-thiazolecarboxylic acid (CAS# 5198-88-9) is a useful research chemical. |
Molecular Weight: | 208.03 |
Molecular Formula: | C4H2BrNO2S |
Canonical SMILES: | C1=C(N=C(S1)Br)C(=O)O |
InChI: | InChI=1S/C4H2BrNO2S/c5-4-6-2(1-9-4)3(7)8/h1H,(H,7,8) |
InChI Key: | BEGREHRAUWCAHV-UHFFFAOYSA-N |
Boiling Point: | 350 °C at 760 mmHg |
Purity: | 97 % |
Density: | 2.062 g/cm3 |
Appearance: | Solid |
LogP: | 1.60380 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021119131-A | Pharmaceutical composition containing a benzene derivative | 20200129 |
WO-2021110169-A1 | Thiazololactam compound as erk inhibitor and use thereof | 20191206 |
WO-2021093172-A1 | Hbv inhibitor and use thereof | 20191113 |
WO-2021067326-A1 | Substituted bicyclic heteroaryl compounds | 20191001 |
US-2021061798-A1 | Pyrazole compounds, formulations thereof, and a method for using the compounds and/or formulations | 20190830 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.89896 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.89896 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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