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Home > Boronic Acids > 1003298-73-4
1003298-73-4 | Benzonitrile, 2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1003298-73-4 Catalog No: AG0001MA MDL No:MFCD22419275
Product Description
Catalog Number:
AG0001MA
Chemical Name:
Benzonitrile, 2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1003298-73-4
Molecular Formula:
C13H14BF2NO2
Molecular Weight:
265.0636
MDL Number:
MFCD22419275
IUPAC Name:
2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C13H14BF2NO2/c1-12(2)13(3,4)19-14(18-12)8-5-10(15)9(7-17)11(16)6-8/h5-6H,1-4H3
InChI Key:
XYMVJTWEERDWFY-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)cc(cc1F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.109g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.067g/mol
Monoisotopic Mass:
265.109g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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