2-[4-(Trifluoromethoxy)phenoxy]pyrimidine-5-boronic Acid Pinacol Ester - CAS 1599467-81-8
Catalog: |
BB011585 |
Product Name: |
2-[4-(Trifluoromethoxy)phenoxy]pyrimidine-5-boronic Acid Pinacol Ester |
CAS: |
1599467-81-8 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethoxy)phenoxy]pyrimidine; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethoxy)phenoxy]pyrimidine |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethoxy)phenoxy]pyrimidine |
Description: | 2-[4-(Trifluoromethoxy)phenoxy]pyrimidine-5-boronic Acid Pinacol Ester (CAS# 1599467-81-8 ) is a useful research chemical. |
Molecular Weight: | 382.14 |
Molecular Formula: | C17H18F3N2O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)OC3=CC=C(C=C3)OC(F)(F)F |
InChI: | InChI=1S/C17H18BF3N2O4/c1-15(2)16(3,4)27-18(26-15)11-9-22-14(23-10-11)24-12-5-7-13(8-6-12)25-17(19,20)21/h5-10H,1-4H3 |
InChI Key: | WTSYDTMPTKJRHE-UHFFFAOYSA-N |
LogP: | 3.46670 |
Complexity: | 489 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 382.1311717 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 382.1311717 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 62.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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