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Home > Boronic Acids > 1489264-77-8
1489264-77-8 | 4-Methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-boronicAcidPinacolEster
CAS No: 1489264-77-8 Catalog No: AG01DFBF MDL No:MFCD24039885
Product Description
Catalog Number:
AG01DFBF
Chemical Name:
4-Methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-boronicAcidPinacolEster
CAS Number:
1489264-77-8
Molecular Formula:
C15H20BNO4
Molecular Weight:
289.1346
MDL Number:
MFCD24039885
IUPAC Name:
4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-benzoxazin-3-one
InChI:
InChI=1S/C15H20BNO4/c1-14(2)15(3,4)21-16(20-14)10-6-7-11-12(8-10)19-9-13(18)17(11)5/h6-8H,9H2,1-5H3
InChI Key:
LFTAECCFDGZPPN-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1C)ccc(c2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.149g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.138g/mol
Monoisotopic Mass:
289.149g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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