4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester - CAS 937796-06-0
Catalog: |
BB041083 |
Product Name: |
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester |
CAS: |
937796-06-0 |
Synonyms: |
3,5-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole; 3,5-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole |
IUPAC Name: | 3,5-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole |
Description: | 4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester (CAS# 937796-06-0) is a useful research chemical. |
Molecular Weight: | 298.19 |
Molecular Formula: | C17H23N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3C(=CC(=N3)C)C |
InChI: | InChI=1S/C17H23BN2O2/c1-12-11-13(2)20(19-12)15-9-7-14(8-10-15)18-21-16(3,4)17(5,6)22-18/h7-11H,1-6H3 |
InChI Key: | SERWCEBXGSSDRB-UHFFFAOYSA-N |
Boiling Point: | 407.1 °C at 760 mmHg |
Density: | 1.06 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD09879979 |
LogP: | 2.78830 |
Complexity: | 392 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 298.1852581 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 298.1852581 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 36.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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