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Home > Boronic Acids > 214360-46-0
214360-46-0 | 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS No: 214360-46-0 Catalog No: AG003I2U MDL No:MFCD03789262
Product Description
Catalog Number:
AG003I2U
Chemical Name:
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS Number:
214360-46-0
Molecular Formula:
C13H16BNO2
Molecular Weight:
229.0826
MDL Number:
MFCD03789262
IUPAC Name:
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,1-4H3
InChI Key:
FIGQEPXOSAFKTA-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.127g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.086g/mol
Monoisotopic Mass:
229.127g/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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