AG004MBF

863238-73-7 | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triphenylmethyl)pyrazole

AG004MBF

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CAS Number	863238-73-7
Catalog Number	AG004MBF(AGN-PC-07HAVW)
Chemical Name	4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triphenylmethyl)pyrazole
IUPAC Name	4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tritylpyrazole
InChI	InChI=1S/C28H29BN2O2/c1-26(2)27(3,4)33-29(32-26)25-20-30-31(21-25)28(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-21H,1-4H3
InChI Key	NJVKYFHOQLLDHU-UHFFFAOYSA-N
MDL Number	MFCD10698507
Molecular Formula	C28H29BN2O2
Molecular Weight	436.3531
SMILES	CC1(C(OB(O1)C2=C[N](N=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C)C)C
Synonyms	863238-73-7, 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1-trityl-1H-pyrazole, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-trityl-1H-pyrazole, AK-30147, 1-Trityl-1H-pyrazole-4-boronic acid pinacol ester, 1-TRITYLPYRAZOLE-4-BORONIC ACID PINACOL ESTER, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triphenylmethyl)-1H-pyrazole, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-(TRIPHENYLMETHYL)PYRAZOLE, 4-(4,4,5,5-Tetramethyl-(1,3,2)dioxaborolan-2-yl)-1-trityl-1H-pyrazole, 1-Trityl-1H-pyrazole-4-boronic acid pinacolester, SCHEMBL510023, C28H29BN2O2, CTK3E6202, KS-00000HBZ, DTXSID10671942, NJVKYFHOQLLDHU-UHFFFAOYSA-N, ANW-64198, CT-080, MFCD10698507, QC-564, RB2082, AKOS015842292, ZINC169745046, AB62258, AM62734, DS-0712, BC001236, BR-30147, SY047309, AB0027072, AX8157800, TR-038045, 4CH-007828, CS-0019333, FT-0645589, ST24028754, W8862, X4870, MFCD10698507 (95%), S-3957, I14-16039, (1-TRITYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tritylpyrazole, 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triphenylmethyl)-1H-pyrazole, 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triphenylmethyl)pyrazole, 1H-Pyrazole, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triphenylmethyl)-, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-TRITYL-PYRAZOLE,

Complexity	589
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	436.232g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	436.362g/mol
Monoisotopic Mass	436.232g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	36.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number