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Home > Boronic Acids > 863868-28-4
863868-28-4 | 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzonitrile
CAS No: 863868-28-4 Catalog No: AG004OCF MDL No:MFCD12407221
Product Description
Catalog Number:
AG004OCF
Chemical Name:
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzonitrile
CAS Number:
863868-28-4
Molecular Formula:
C14H15BF3NO2
Molecular Weight:
297.0806
MDL Number:
MFCD12407221
IUPAC Name:
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C14H15BF3NO2/c1-12(2)13(3,4)21-15(20-12)11-7-10(14(16,17)18)6-5-9(11)8-19/h5-7H,1-4H3
InChI Key:
IUMGFEGPPUQZBJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1B1OC(C(O1)(C)C)(C)C)C(F)(F)F
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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