4-(Trifluoromethoxy)benzylboronic Acid Pinacol Ester - CAS 872038-32-9
Catalog: |
BB038331 |
Product Name: |
4-(Trifluoromethoxy)benzylboronic Acid Pinacol Ester |
CAS: |
872038-32-9 |
Synonyms: |
4,4,5,5-tetramethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,2-dioxaborolane |
IUPAC Name: | 4,4,5,5-tetramethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,2-dioxaborolane |
Description: | 4-(Trifluoromethoxy)benzylboronic Acid Pinacol Ester (CAS# 872038-32-9) is a useful research chemical. |
Molecular Weight: | 302.10 |
Molecular Formula: | C14H18F3O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)CC2=CC=C(C=C2)OC(F)(F)F |
InChI: | InChI=1S/C14H18BF3O3/c1-12(2)13(3,4)21-15(20-12)9-10-5-7-11(8-6-10)19-14(16,17)18/h5-8H,9H2,1-4H3 |
InChI Key: | CQXXCBRJJSMFRZ-UHFFFAOYSA-N |
Boiling Point: | 100 °C / 0.2 mmHg |
Flash Point: | 221 °F |
Purity: | 97 % |
Density: | 1.139 g/mL at 25 °C |
Storage: | 2-8 °C |
LogP: | 4.02550 |
Publication Number | Title | Priority Date |
US-2020407361-A1 | Tricyclic compounds | 20190530 |
US-11136321-B2 | Tricyclic compounds | 20190530 |
US-2019322655-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
WO-2019180646-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
AU-2019237344-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
Complexity: | 347 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.1301091 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.1301091 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 27.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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