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Home > Boronic Acids > 1221502-31-3
1221502-31-3 | 5-Methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronicAcidPinacolEster
CAS No: 1221502-31-3 Catalog No: AG00HGN8 MDL No:MFCD18383756
Product Description
Catalog Number:
AG00HGN8
Chemical Name:
5-Methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronicAcidPinacolEster
CAS Number:
1221502-31-3
MDL Number:
MFCD18383756
IUPAC Name:
5-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C15H20BNO4/c1-9-10(16-20-14(2,3)15(4,5)21-16)6-7-11-13(9)17-12(18)8-19-11/h6-7H,8H2,1-5H3,(H,17,18)
InChI Key:
SGDDLQNLIIJUBN-UHFFFAOYSA-N
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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