2-Bromobenzothiazole-6-carboxylic Acid - CAS 22514-58-5
Catalog: |
BB017640 |
Product Name: |
2-Bromobenzothiazole-6-carboxylic Acid |
CAS: |
22514-58-5 |
Synonyms: |
2-bromo-1,3-benzothiazole-6-carboxylic acid; 2-bromo-1,3-benzothiazole-6-carboxylic acid |
IUPAC Name: | 2-bromo-1,3-benzothiazole-6-carboxylic acid |
Description: | 2-Bromobenzothiazole-6-carboxylic Acid (CAS# 22514-58-5) is a useful research chemical. |
Molecular Weight: | 258.09 |
Molecular Formula: | C8H4BrNO2S |
Canonical SMILES: | C1=CC2=C(C=C1C(=O)O)SC(=N2)Br |
InChI: | InChI=1S/C8H4BrNO2S/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h1-3H,(H,11,12) |
InChI Key: | ICKXPLAJDFRFME-UHFFFAOYSA-N |
Boiling Point: | 444.1 ℃ at 760 mmHg |
Density: | 1.912 g/cm3 |
Appearance: | Solid |
MDL: | MFCD09266217 |
LogP: | 2.75700 |
Publication Number | Title | Priority Date |
WO-2021014855-A1 | Compound, composition, film, laminate, and display device | 20190723 |
KR-20190129009-A | Novel compound with enteropetidase inhibiting activity | 20180509 |
AU-2019265268-A1 | Novel compound exhibiting enteropeptidase inhibitory activity | 20180509 |
CN-112105604-A | Novel compounds exhibiting enteropeptidase inhibitory activity | 20180509 |
BR-112020022790-A2 | new compound that exhibits enteropeptidase inhibitory activity | 20180509 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.91461 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.91461 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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