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Home > Boronic Acids > 1146629-84-6
1146629-84-6 | 1H-Pyrazole-1-propanenitrile, β-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, (βR)-
CAS No: 1146629-84-6 Catalog No: AG000EZ3 MDL No:MFCD16038968
Product Description
Catalog Number:
AG000EZ3
Chemical Name:
1H-Pyrazole-1-propanenitrile, β-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, (βR)-
CAS Number:
1146629-84-6
Molecular Formula:
C17H26BN3O2
Molecular Weight:
315.2182
MDL Number:
MFCD16038968
IUPAC Name:
(3R)-3-cyclopentyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanenitrile
InChI:
InChI=1S/C17H26BN3O2/c1-16(2)17(3,4)23-18(22-16)14-11-20-21(12-14)15(9-10-19)13-7-5-6-8-13/h11-13,15H,5-9H2,1-4H3/t15-/m1/s1
InChI Key:
LJZLJWDLFHJEOC-OAHLLOKOSA-N
SMILES:
N#CC[C@@H](n1ncc(c1)B1OC(C(O1)(C)C)(C)C)C1CCCC1
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
315.212g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.224g/mol
Monoisotopic Mass:
315.212g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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