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Home > Boronic Acids > 1615247-97-6
1615247-97-6 | 1-[2-(4-Boronophenoxy)ethyl]-1,4-dihydropyridin-4-one
CAS No: 1615247-97-6 Catalog No: AG00HYOI MDL No:MFCD17402509
Product Description
Catalog Number:
AG00HYOI
Chemical Name:
1-[2-(4-Boronophenoxy)ethyl]-1,4-dihydropyridin-4-one
CAS Number:
1615247-97-6
Molecular Formula:
C13H14BNO4
Molecular Weight:
259.0656
MDL Number:
MFCD17402509
IUPAC Name:
[4-[2-(4-oxopyridin-1-yl)ethoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H14BNO4/c16-12-5-7-15(8-6-12)9-10-19-13-3-1-11(2-4-13)14(17)18/h1-8,17-18H,9-10H2
InChI Key:
OOJGGGQHVWIGHJ-UHFFFAOYSA-N
SMILES:
O=c1ccn(cc1)CCOc1ccc(cc1)B(O)O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.102g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.068g/mol
Monoisotopic Mass:
259.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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