4-(2H-Tetrazol-5-yl)phenylboronic Acid Pinacol Ester - CAS 775351-40-1
Catalog: |
BB035984 |
Product Name: |
4-(2H-Tetrazol-5-yl)phenylboronic Acid Pinacol Ester |
CAS: |
775351-40-1 |
Synonyms: |
5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2H-tetrazole; 5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2H-tetrazole |
IUPAC Name: | 5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2H-tetrazole |
Description: | 4-(2H-Tetrazol-5-yl)phenylboronic Acid Pinacol Ester (CAS# 775351-40-1) is a useful research chemical. |
Molecular Weight: | 272.11 |
Molecular Formula: | C13H17N4O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=NNN=N3 |
InChI: | InChI=1S/C13H17BN4O2/c1-12(2)13(3,4)20-14(19-12)10-7-5-9(6-8-10)11-15-17-18-16-11/h5-8H,1-4H3,(H,15,16,17,18) |
InChI Key: | ONAVJWUKLJDJAI-UHFFFAOYSA-N |
MDL: | MFCD17214381 |
LogP: | 1.16590 |
Publication Number | Title | Priority Date |
EP-3139918-B1 | Beta-tetrazolyl-propionic acids as metallo-beta-lactamase inhibitors | 20140509 |
US-2017173035-A1 | Beta-tetrazolyl-propionic acids as metallo-beta-lactamase inhibitors | 20140509 |
US-9839642-B2 | Beta-tetrazolyl-propionic acids as metallo-beta-lactamase inhibitors | 20140509 |
WO-2015171474-A1 | Beta-tetrazolyl-propionic acids as metallo-beta-lactamase inhibitors | 20140509 |
AU-2012242595-A1 | Aryl-or heteroaryl-substituted benzene compounds | 20110413 |
Complexity: | 342 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.144456 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.144456 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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