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Home > Boronic Acids > 1356068-62-6
1356068-62-6 | 2-Morpholino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile
CAS No: 1356068-62-6 Catalog No: AG009BS4 MDL No:MFCD16996767
Product Description
Catalog Number:
AG009BS4
Chemical Name:
2-Morpholino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile
CAS Number:
1356068-62-6
Molecular Formula:
C16H22BN3O3
Molecular Weight:
315.1752
MDL Number:
MFCD16996767
IUPAC Name:
2-morpholin-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C16H22BN3O3/c1-15(2)16(3,4)23-17(22-15)13-9-12(10-18)14(19-11-13)20-5-7-21-8-6-20/h9,11H,5-8H2,1-4H3
InChI Key:
KMOMTJKORSQJNI-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cnc1N1CCOCC1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.175g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.18g/mol
Monoisotopic Mass:
315.175g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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