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Home > Boronic Acids > 1486485-57-7
1486485-57-7 | 3-cyclopropyl-1-(oxan-2-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No: 1486485-57-7 Catalog No: AG01A3LW MDL No:MFCD23144026
Product Description
Catalog Number:
AG01A3LW
Chemical Name:
3-cyclopropyl-1-(oxan-2-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
1486485-57-7
Molecular Formula:
C17H27BN2O3
Molecular Weight:
318.2189
MDL Number:
MFCD23144026
IUPAC Name:
3-cyclopropyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C17H27BN2O3/c1-16(2)17(3,4)23-18(22-16)14-11-13(12-8-9-12)19-20(14)15-7-5-6-10-21-15/h11-12,15H,5-10H2,1-4H3
InChI Key:
RGWSNXLQKXBYDF-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cc(nn1C1CCCCO1)C1CC1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.211g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.224g/mol
Monoisotopic Mass:
318.211g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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