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Home > Boronic Acids > 938043-31-3
938043-31-3 | Piperidin-1-yl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);methanone
CAS No: 938043-31-3 Catalog No: AG003KA6 MDL No:MFCD09027083
Product Description
Catalog Number:
AG003KA6
Chemical Name:
Piperidin-1-yl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);methanone
CAS Number:
938043-31-3
Molecular Formula:
C18H26BNO3
Molecular Weight:
315.2149
MDL Number:
MFCD09027083
IUPAC Name:
piperidin-1-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
InChI:
InChI=1S/C18H26BNO3/c1-17(2)18(3,4)23-19(22-17)15-10-8-14(9-11-15)16(21)20-12-6-5-7-13-20/h8-11H,5-7,12-13H2,1-4H3
InChI Key:
YOXMAOLZXRIELZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)N1CCCCC1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.201g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.22g/mol
Monoisotopic Mass:
315.201g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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