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Home > Boronic Acids > 1427587-32-3
1427587-32-3 | 1-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2(1H)-one
CAS No: 1427587-32-3 Catalog No: AG009HM3 MDL No:MFCD23106122
Product Description
Catalog Number:
AG009HM3
Chemical Name:
1-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2(1H)-one
CAS Number:
1427587-32-3
Molecular Formula:
C16H22BNO3
Molecular Weight:
287.1618
MDL Number:
MFCD23106122
IUPAC Name:
1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one
InChI:
InChI=1S/C16H22BNO3/c1-15(2)16(3,4)21-17(20-15)12-7-8-13-11(10-12)6-9-14(19)18(13)5/h7-8,10H,6,9H2,1-5H3
InChI Key:
KBKLZANEYMGZGD-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N1C)ccc(c2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.169g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.166g/mol
Monoisotopic Mass:
287.169g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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