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Home > Boronic Acids > 1231892-74-2
1231892-74-2 | 1(2H)-Isoquinolinone, 3,4-dihydro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1231892-74-2 Catalog No: AG000K4A MDL No:
Product Description
Catalog Number:
AG000K4A
Chemical Name:
1(2H)-Isoquinolinone, 3,4-dihydro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1231892-74-2
Molecular Formula:
C15H20BNO3
Molecular Weight:
273.1352
IUPAC Name:
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)11-6-5-10-7-8-17-13(18)12(10)9-11/h5-6,9H,7-8H2,1-4H3,(H,17,18)
InChI Key:
MGSHRQWUXRGGQS-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c1cc(cc2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.154g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.139g/mol
Monoisotopic Mass:
273.154g/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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