5-Bromothiazole-2-carboxylic Acid - CAS 957346-62-2
Catalog: |
BB041836 |
Product Name: |
5-Bromothiazole-2-carboxylic Acid |
CAS: |
957346-62-2 |
Synonyms: |
5-bromo-2-thiazolecarboxylic acid; 5-bromo-1,3-thiazole-2-carboxylic acid |
IUPAC Name: | 5-bromo-1,3-thiazole-2-carboxylic acid |
Description: | 5-Bromothiazole-2-carboxylic Acid (CAS# 957346-62-2) is a useful research chemical. |
Molecular Weight: | 208.03 |
Molecular Formula: | C4H2BrNO2S |
Canonical SMILES: | C1=C(SC(=N1)C(=O)O)Br |
InChI: | InChI=1S/C4H2BrNO2S/c5-2-1-6-3(9-2)4(7)8/h1H,(H,7,8) |
InChI Key: | BQRYPTVDLJGHAU-UHFFFAOYSA-N |
Boiling Point: | 372.505 ℃ at 760 mmHg |
Density: | 2.063 g/cm3 |
Appearance: | Light yellow powder |
LogP: | 1.60380 |
GHS Hazard Statement: | H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P271, P304+P340, P312, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021007477-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 20190711 |
CN-111410653-A | Dihydroisoquinoline compound | 20190108 |
WO-2020143604-A1 | Dihydroisoquinoline compound | 20190108 |
KR-20210111807-A | Dihydroisoquinoline compounds | 20190108 |
US-2019382395-A1 | Tyrosine Kinase Inhibitors | 20180601 |
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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