3,4-Dihydro-2H-1,5-benzodioxepine-7-boronic Acid - CAS 279261-89-1
Catalog: |
BB019711 |
Product Name: |
3,4-Dihydro-2H-1,5-benzodioxepine-7-boronic Acid |
CAS: |
279261-89-1 |
Synonyms: |
3,4-dihydro-2H-1,5-benzodioxepin-7-ylboronic acid; 3,4-dihydro-2H-1,5-benzodioxepin-7-ylboronic acid |
IUPAC Name: | 3,4-dihydro-2H-1,5-benzodioxepin-7-ylboronic acid |
Description: | 3,4-Dihydro-2H-1,5-benzodioxepine-7-boronic Acid (CAS# 279261-89-1) is a useful research chemical. |
Molecular Weight: | 193.99 |
Molecular Formula: | C9H11O4B |
Canonical SMILES: | B(C1=CC2=C(C=C1)OCCCO2)(O)O |
InChI: | InChI=1S/C9H11BO4/c11-10(12)7-2-3-8-9(6-7)14-5-1-4-13-8/h2-3,6,11-12H,1,4-5H2 |
InChI Key: | CSNCBPVLUIFJOS-UHFFFAOYSA-N |
Boiling Point: | 371 °C at 760 mmHg |
Density: | 1.29 g/cm3 |
LogP: | -0.47230 |
Publication Number | Title | Priority Date |
JP-2019519564-A | Bicyclic imidazole derivatives useful for the treatment of renal diseases, cardiovascular diseases and fibrotic disorders | 20160628 |
US-2020109131-A1 | Bicyclic imidazole derivatives useful for the treatment of renal diseases, cardiovascular diseases and fibrotic diseases | 20160628 |
US-10858342-B2 | Bicyclic imidazole derivatives useful for the treatment of renal diseases, cardiovascular diseases and fibrotic diseases | 20160628 |
EP-3475262-B1 | Bicyclic imidazole derivatives useful for the treatment of renal disease, cardiovascular diseases and fibrotic disorders | 20160628 |
JP-6914974-B2 | Bicyclic imidazole derivatives useful in the treatment of renal, cardiovascular, and fibrotic disorders | 20160628 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.075039 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.075039 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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