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Home > Boronic Acids > 1315281-50-5
1315281-50-5 | 1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-1H-pyrazole
CAS No: 1315281-50-5 Catalog No: AG00HSK8 MDL No:MFCD18827483
Product Description
Catalog Number:
AG00HSK8
Chemical Name:
1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-1H-pyrazole
CAS Number:
1315281-50-5
Molecular Formula:
C16H21BN2O2
Molecular Weight:
284.1611
MDL Number:
MFCD18827483
IUPAC Name:
1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrazole
InChI:
InChI=1S/C16H21BN2O2/c1-15(2)16(3,4)21-17(20-15)14-8-6-13(7-9-14)12-19-11-5-10-18-19/h5-11H,12H2,1-4H3
InChI Key:
QZFKKMAOCJJOCL-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)Cn1cccn1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.17g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.166g/mol
Monoisotopic Mass:
284.17g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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