3-Benzoylphenylboronic acid pinacol ester - CAS 949022-45-1
Catalog: |
BB055064 |
Product Name: |
3-Benzoylphenylboronic acid pinacol ester |
CAS: |
949022-45-1 |
Synonyms: |
3-BENZOYLPHENYLBORONIC ACID PINACOL ESTER; Phenyl(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone; phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone; phenyl[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone |
IUPAC Name: | phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone |
Molecular Weight: | 308.18 |
Molecular Formula: | C19H21BO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3 |
InChI: | InChI=1S/C19H21BO3/c1-18(2)19(3,4)23-20(22-18)16-12-8-11-15(13-16)17(21)14-9-6-5-7-10-14/h5-13H,1-4H3 |
InChI Key: | LAELVQOXYPYWJZ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021003295-A1 | Modulators of hsd17b13 and methods of use thereof | 20190702 |
CA-2864672-A1 | Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme | 20120217 |
CA-2864672-C | Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme | 20120217 |
EA-035020-B1 | Pyrazolopyrimidinyl Inhibitors of Ubiquitin-Activating Enzyme | 20120217 |
EP-2814791-A1 | Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme | 20120217 |
EP-3173413-A1 | Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme | 20120217 |
EP-3536692-A1 | Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme | 20120217 |
JP-2015508775-A | Pyrazolopyrimidinyl inhibitors of ubiquitin activating enzymes | 20120217 |
JP-6122877-B2 | Pyrazolopyrimidinyl inhibitors of ubiquitin activating enzyme | 20120217 |
KR-20140123104-A | Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme | 20120217 |
Complexity: | 424 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 308.1583747 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 308.1583747 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS