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Home > Boronic Acids > 214360-48-2
214360-48-2 | 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS No: 214360-48-2 Catalog No: AG0038W6 MDL No:MFCD04038747
Product Description
Catalog Number:
AG0038W6
Chemical Name:
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS Number:
214360-48-2
Molecular Formula:
C13H16BNO2
Molecular Weight:
229.0826
MDL Number:
MFCD04038747
IUPAC Name:
2-(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)11-8-6-5-7-10(11)9-15/h5-8H,1-4H3
InChI Key:
SKQNWSBNAIOCOC-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1B1OC(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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