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Home > Boronic Acids > 2068065-34-7
2068065-34-7 | 3-methyl-1-(propan-2-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No: 2068065-34-7 Catalog No: AG01B8UC MDL No:MFCD23740620
Product Description
Catalog Number:
AG01B8UC
Chemical Name:
3-methyl-1-(propan-2-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
2068065-34-7
Molecular Formula:
C13H23BN2O2
Molecular Weight:
250.1449
MDL Number:
MFCD23740620
IUPAC Name:
3-methyl-1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C13H23BN2O2/c1-9(2)16-8-11(10(3)15-16)14-17-12(4,5)13(6,7)18-14/h8-9H,1-7H3
InChI Key:
NALQATLYFUYUND-UHFFFAOYSA-N
SMILES:
Cc1nn(cc1B1OC(C(O1)(C)C)(C)C)C(C)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.185g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.149g/mol
Monoisotopic Mass:
250.185g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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