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Home > Boronic Acids > 1356068-52-4
1356068-52-4 | 2-(Pyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile
CAS No: 1356068-52-4 Catalog No: AG009WUF MDL No:MFCD16996763
Product Description
Catalog Number:
AG009WUF
Chemical Name:
2-(Pyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile
CAS Number:
1356068-52-4
Molecular Formula:
C16H22BN3O2
Molecular Weight:
299.1758
MDL Number:
MFCD16996763
IUPAC Name:
2-pyrrolidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C16H22BN3O2/c1-15(2)16(3,4)22-17(21-15)13-9-12(10-18)14(19-11-13)20-7-5-6-8-20/h9,11H,5-8H2,1-4H3
InChI Key:
YCEOZTZRGDGDKN-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cnc1N1CCCC1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.181g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.181g/mol
Monoisotopic Mass:
299.181g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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