4-(1-Hydroxycyclobutyl)phenylboronic Acid Pinacol Ester - CAS 1398331-98-0
Catalog: |
BB008984 |
Product Name: |
4-(1-Hydroxycyclobutyl)phenylboronic Acid Pinacol Ester |
CAS: |
1398331-98-0 |
Synonyms: |
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-cyclobutanol; 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutan-1-ol |
IUPAC Name: | 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutan-1-ol |
Description: | 4-(1-Hydroxycyclobutyl)phenylboronic Acid Pinacol Ester (CAS# 1398331-98-0) is a useful research chemical. |
Molecular Weight: | 274.16 |
Molecular Formula: | C16H23O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CCC3)O |
InChI: | InChI=1S/C16H23BO3/c1-14(2)15(3,4)20-17(19-14)13-8-6-12(7-9-13)16(18)10-5-11-16/h6-9,18H,5,10-11H2,1-4H3 |
InChI Key: | ADJDMTWSQDLRRP-UHFFFAOYSA-N |
LogP: | 2.35730 |
Publication Number | Title | Priority Date |
WO-2020106560-A1 | Substituted amino triazolopyrimidine and amino triazolopyrazine adenosine receptor antagonists, pharmaceutical compositions and their use | 20181120 |
EP-3883576-A1 | Substituted amino triazolopyrimidine and amino triazolopyrazine adenosine receptor antagonists, pharmaceutical compositions and their use | 20181120 |
US-2016333021-A1 | Metallo-beta-lactamase inhibitors | 20140122 |
US-9708336-B2 | Metallo-beta-lactamase inhibitors | 20140122 |
US-2014315883-A1 | 6H-IMIDAZO[1,5-a]PYRROLO[2,3-e]PYRAZINE COMPOUNDS | 20130419 |
Complexity: | 352 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.1740248 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.1740248 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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