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Home > Boronic Acids > 1613639-41-0
1613639-41-0 | 2H-Indol-2-one, 3,3-difluoro-1,3-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1613639-41-0 Catalog No: AG001SE8 MDL No:MFCD22547891
Product Description
Catalog Number:
AG001SE8
Chemical Name:
2H-Indol-2-one, 3,3-difluoro-1,3-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1613639-41-0
Molecular Formula:
C14H16BF2NO3
Molecular Weight:
295.0895
MDL Number:
MFCD22547891
IUPAC Name:
3,3-difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-one
InChI:
InChI=1S/C14H16BF2NO3/c1-12(2)13(3,4)21-15(20-12)8-5-6-10-9(7-8)14(16,17)11(19)18-10/h5-7H,1-4H3,(H,18,19)
InChI Key:
OLAPOTHCXUMWEO-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1(F)F)cc(cc2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.093g/mol
Monoisotopic Mass:
295.119g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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