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

Technical Data

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