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Home > Boronic Acids > 1202805-30-8
1202805-30-8 | {1-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl}methanol
CAS No: 1202805-30-8 Catalog No: AG00HFC4 MDL No:MFCD18382961
Product Description
Catalog Number:
AG00HFC4
Chemical Name:
{1-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl}methanol
CAS Number:
1202805-30-8
Molecular Formula:
C16H26BN3O3
Molecular Weight:
319.2069
MDL Number:
MFCD18382961
IUPAC Name:
[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanol
InChI:
InChI=1S/C16H26BN3O3/c1-15(2)16(3,4)23-17(22-15)13-9-18-14(19-10-13)20-7-5-12(11-21)6-8-20/h9-10,12,21H,5-8,11H2,1-4H3
InChI Key:
NYJFWFRMNSUXNY-UHFFFAOYSA-N
SMILES:
OCC1CCN(CC1)c1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.207g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.212g/mol
Monoisotopic Mass:
319.207g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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