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1-(2-Tetrahydropyranyl)-1H-pyrazole-4-boronic acid neopentylglycol ester

Catalog NumberACM1072944263-1

CAS Number1072944-26-3

CategorySalt

1-(2-Tetrahydropyranyl)-1H-pyrazole-4-boronic acid neopentylglycol ester
IUPAC Name
4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-(oxan-2-yl)pyrazole
Molecular Weight
264.13g/mol
Molecular Formula
C13H21BN2O3
Canonical SMILES
B1(OCC(CO1)(C)C)C2=CN(N=C2)C3CCCCO3
InChI
InChI=1S/C13H21BN2O3/c1-13(2)9-18-14(19-10-13)11-7-15-16(8-11)12-5-3-4-6-17-12/h7-8,12H,3-6,9-10H2,1-2H3
InChI Key
YVZAPDBXQZXBDN-UHFFFAOYSA-N
Complexity
306
Covalently-Bonded Unit Count
1
Exact Mass
264.164523g/mol
Formal Charge
0
Heavy Atom Count
19
Monoisotopic Mass
264.164523g/mol
Rotatable Bond Count
2
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