Benzothiazole-2-boronic Acid - CAS 499769-96-9
Catalog: |
BB026873 |
Product Name: |
Benzothiazole-2-boronic Acid |
CAS: |
499769-96-9 |
Synonyms: |
1,3-benzothiazol-2-ylboronic acid; 1,3-benzothiazol-2-ylboronic acid |
IUPAC Name: | 1,3-benzothiazol-2-ylboronic acid |
Description: | Benzothiazole-2-boronic Acid (CAS# 499769-96-9 ) is a useful research chemical. |
Molecular Weight: | 179.00 |
Molecular Formula: | C7H6NO2SB |
Canonical SMILES: | B(C1=NC2=CC=CC=C2S1)(O)O |
InChI: | InChI=1S/C7H6BNO2S/c10-8(11)7-9-5-3-1-2-4-6(5)12-7/h1-4,10-11H |
InChI Key: | KQPADKUSNKOJID-UHFFFAOYSA-N |
Boiling Point: | 388.033 °C at 760 mmHg |
Density: | 1.441 g/cm3 |
MDL: | MFCD05664654 |
LogP: | -0.02390 |
Publication Number | Title | Priority Date |
CN-113121584-A | Heterocyclic compound and organic electroluminescent device comprising same | 20210330 |
CN-112778312-A | Organic material containing indoloquinazolinedione heterocyclic structure and application thereof | 20201228 |
CN-112500397-A | Organic electroluminescent material with dibenzofuran-connected anthracene core structure and preparation method and device thereof | 20201218 |
KR-102170558-B1 | An electroluminescent compound and an electroluminescent device comprising the same | 20200312 |
WO-2021182704-A1 | Organic light-emitting compound and organic light-emitting device comprising same | 20200312 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.0212298 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.0212298 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 81.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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