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Home > Boronic Acids > 1224449-07-3
1224449-07-3 | 4-(1-Boc-Piperidin-4-yloxy)phenylboronic acid
CAS No: 1224449-07-3 Catalog No: AG00HGQ3 MDL No:
Product Description
Catalog Number:
AG00HGQ3
Chemical Name:
4-(1-Boc-Piperidin-4-yloxy)phenylboronic acid
CAS Number:
1224449-07-3
Molecular Formula:
C16H24BNO5
Molecular Weight:
321.1765
IUPAC Name:
[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]boronic acid
InChI:
InChI=1S/C16H24BNO5/c1-16(2,3)23-15(19)18-10-8-14(9-11-18)22-13-6-4-12(5-7-13)17(20)21/h4-7,14,20-21H,8-11H2,1-3H3
InChI Key:
PZTGXHYYZOUJKU-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)OC1CCN(CC1)C(=O)OC(C)(C)C)O
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.175g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.18g/mol
Monoisotopic Mass:
321.175g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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