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Home > Boronic Acids > 479411-95-5
479411-95-5 | 3-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoroMethyl)benzonitrile
CAS No: 479411-95-5 Catalog No: AG00DKG8 MDL No:MFCD12405369
Product Description
Catalog Number:
AG00DKG8
Chemical Name:
3-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoroMethyl)benzonitrile
CAS Number:
479411-95-5
Molecular Formula:
C14H15BF3NO2
Molecular Weight:
297.0806
MDL Number:
MFCD12405369
IUPAC Name:
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C14H15BF3NO2/c1-12(2)13(3,4)21-15(20-12)11-6-9(8-19)5-10(7-11)14(16,17)18/h5-7H,1-4H3
InChI Key:
PDRFNTUDMWZDSL-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(c1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.115g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.084g/mol
Monoisotopic Mass:
297.115g/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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