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Home > Boronic Acids > 1448172-67-5
1448172-67-5 | Pyrimidine, 2-(1-azetidinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1448172-67-5 Catalog No: AG001K6W MDL No:
Product Description
Catalog Number:
AG001K6W
Chemical Name:
Pyrimidine, 2-(1-azetidinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1448172-67-5
Molecular Formula:
C13H20BN3O2
Molecular Weight:
261.1278
IUPAC Name:
2-(azetidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
InChI:
InChI=1S/C13H20BN3O2/c1-12(2)13(3,4)19-14(18-12)10-8-15-11(16-9-10)17-6-5-7-17/h8-9H,5-7H2,1-4H3
InChI Key:
XCLDKOXLJXKRMR-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnc(nc1)N1CCC1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.165g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.132g/mol
Monoisotopic Mass:
261.165g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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