Pyrazole-4-boronic acid pinacol ester

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Catalog Number
ACM269410084
Product Name
Pyrazole-4-boronic acid pinacol ester
Structure
Structure
CAS
269410-08-4
Category
Other
IUPAC Name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Molecular Weight
194.04g/mol
Molecular Formula
C9H15BN2O2
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CNN=C2
InChI
InChI=1S/C9H15BN2O2/c1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h5-6H,1-4H3,(H,11,12)
InChI Key
TVOJIBGZFYMWDT-UHFFFAOYSA-N
Complexity
217
Covalently-Bonded Unit Count
1
Exact Mass
194.122658g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
1
Heavy Atom Count
14
Monoisotopic Mass
194.122658g/mol
Rotatable Bond Count
1
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