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Home > Boronic Acids > 400620-72-6
400620-72-6 | 2-dioxaborolan-2-yl)quinolin-2(1H)-one
CAS No: 400620-72-6 Catalog No: AG00C9MW MDL No:MFCD18072003
Product Description
Catalog Number:
AG00C9MW
Chemical Name:
2-dioxaborolan-2-yl)quinolin-2(1H)-one
CAS Number:
400620-72-6
Molecular Formula:
C15H20BNO3
Molecular Weight:
273.1352
MDL Number:
MFCD18072003
IUPAC Name:
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-one
InChI:
InChI=1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)11-6-7-12-10(9-11)5-8-13(18)17-12/h6-7,9H,5,8H2,1-4H3,(H,17,18)
InChI Key:
WXZHYBMYYOORDG-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N1)ccc(c2)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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