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Home > Boronic Acids > 1421325-54-3
1421325-54-3 | {1-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl}methanol
CAS No: 1421325-54-3 Catalog No: AG01BXSW MDL No:MFCD18761553
Product Description
Catalog Number:
AG01BXSW
Chemical Name:
{1-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl}methanol
CAS Number:
1421325-54-3
Molecular Formula:
C15H24BN3O3
Molecular Weight:
305.1804
MDL Number:
MFCD18761553
IUPAC Name:
[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol
InChI:
InChI=1S/C15H24BN3O3/c1-14(2)15(3,4)22-16(21-14)12-7-17-13(18-8-12)19-6-5-11(9-19)10-20/h7-8,11,20H,5-6,9-10H2,1-4H3
InChI Key:
CBJLGRBASUBXGK-UHFFFAOYSA-N
SMILES:
OCC1CCN(C1)c1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.191g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.185g/mol
Monoisotopic Mass:
305.191g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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