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Home > Boronic Acids > 1221502-87-9
1221502-87-9 | 5,8-Difluoro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronicAcidPinacolEster
CAS No: 1221502-87-9 Catalog No: AG00HGN9 MDL No:MFCD18383755
Product Description
Catalog Number:
AG00HGN9
Chemical Name:
5,8-Difluoro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronicAcidPinacolEster
CAS Number:
1221502-87-9
MDL Number:
MFCD18383755
IUPAC Name:
5,8-difluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C14H16BF2NO4/c1-13(2)14(3,4)22-15(21-13)7-5-8(16)12-11(10(7)17)18-9(19)6-20-12/h5H,6H2,1-4H3,(H,18,19)
InChI Key:
MFEBJTMCGUWDLQ-UHFFFAOYSA-N
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.092g/mol
Monoisotopic Mass:
311.114g/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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