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Home > Boronic Acids > 1362243-50-2
1362243-50-2 | 1-Benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No: 1362243-50-2 Catalog No: AG007MOT MDL No:MFCD10000624
Product Description
Catalog Number:
AG007MOT
Chemical Name:
1-Benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
1362243-50-2
Molecular Formula:
C16H21BN2O2
Molecular Weight:
284.1611
MDL Number:
MFCD10000624
IUPAC Name:
1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C16H21BN2O2/c1-15(2)16(3,4)21-17(20-15)14-10-11-18-19(14)12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3
InChI Key:
AYWJWQSJIQZYEJ-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccnn1Cc1ccccc1
Properties
Complexity:
353
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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