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Home > Boronic Acids > 1279088-80-0
1279088-80-0 | 1H-Pyrazole, 1-(tetrahydro-2H-pyran-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1279088-80-0 Catalog No: AG000XJK MDL No:MFCD22189465
Product Description
Catalog Number:
AG000XJK
Chemical Name:
1H-Pyrazole, 1-(tetrahydro-2H-pyran-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1279088-80-0
Molecular Formula:
C14H23BN2O3
Molecular Weight:
278.1550
MDL Number:
MFCD22189465
IUPAC Name:
1-(oxan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C14H23BN2O3/c1-13(2)14(3,4)20-15(19-13)11-8-9-17(16-11)12-7-5-6-10-18-12/h8-9,12H,5-7,10H2,1-4H3
InChI Key:
PJRWOBTYGKIHPV-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccn(n1)C1CCCCO1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.18g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.159g/mol
Monoisotopic Mass:
278.18g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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