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Home > Boronic Acids > 957198-30-0
957198-30-0 | 4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);pyrimidin-2-yl);morpholine
CAS No: 957198-30-0 Catalog No: AG006BKS MDL No:MFCD07368246
Product Description
Catalog Number:
AG006BKS
Chemical Name:
4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);pyrimidin-2-yl);morpholine
CAS Number:
957198-30-0
Molecular Formula:
C14H22BN3O3
Molecular Weight:
291.1538
MDL Number:
MFCD07368246
IUPAC Name:
4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]morpholine
InChI:
InChI=1S/C14H22BN3O3/c1-13(2)14(3,4)21-15(20-13)11-9-16-12(17-10-11)18-5-7-19-8-6-18/h9-10H,5-8H2,1-4H3
InChI Key:
HNVAYPJNFUXYII-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnc(nc1)N1CCOCC1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.175g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.158g/mol
Monoisotopic Mass:
291.175g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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