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Home > Boronic Acids > 1219130-56-9
1219130-56-9 | 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-1(2H)-one
CAS No: 1219130-56-9 Catalog No: AG00A9ZW MDL No:MFCD18426474
Product Description
Catalog Number:
AG00A9ZW
Chemical Name:
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-1(2H)-one
CAS Number:
1219130-56-9
Molecular Formula:
C15H18BNO3
Molecular Weight:
271.1193
MDL Number:
MFCD18426474
IUPAC Name:
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-isoquinolin-1-one
InChI:
InChI=1S/C15H18BNO3/c1-14(2)15(3,4)20-16(19-14)11-5-6-12-10(9-11)7-8-17-13(12)18/h5-9H,1-4H3,(H,17,18)
InChI Key:
ZGNSYBSEZVIFNK-UHFFFAOYSA-N
SMILES:
O=c1[nH]ccc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.138g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.123g/mol
Monoisotopic Mass:
271.138g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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