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Home > Boronic Acids > 943994-87-4
943994-87-4 | 8-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS No: 943994-87-4 Catalog No: AG006B34 MDL No:MFCD15528100
Product Description
Catalog Number:
AG006B34
Chemical Name:
8-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS Number:
943994-87-4
Molecular Formula:
C15H20BNO4
Molecular Weight:
289.1346
MDL Number:
MFCD15528100
IUPAC Name:
8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C15H20BNO4/c1-9-6-10(7-11-13(9)19-8-12(18)17-11)16-20-14(2,3)15(4,5)21-16/h6-7H,8H2,1-5H3,(H,17,18)
InChI Key:
AEWPIRBYFOHBFR-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cc(cc2C)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:
1
Isotope Atom Count:
0
Molecular Weight:
289.138g/mol
Monoisotopic Mass:
289.149g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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