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Home > Boronic Acids > 1256359-33-7
1256359-33-7 | Acetonitrile, 2-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-
CAS No: 1256359-33-7 Catalog No: AG000O74 MDL No:MFCD16036139
Product Description
Catalog Number:
AG000O74
Chemical Name:
Acetonitrile, 2-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-
CAS Number:
1256359-33-7
Molecular Formula:
C16H22BNO3
Molecular Weight:
287.1618
MDL Number:
MFCD16036139
IUPAC Name:
2-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetonitrile
InChI:
InChI=1S/C16H22BNO3/c1-11-9-13(10-12(2)14(11)19-8-7-18)17-20-15(3,4)16(5,6)21-17/h9-10H,8H2,1-6H3
InChI Key:
JUBYKYNIXFNKIL-UHFFFAOYSA-N
SMILES:
N#CCOc1c(C)cc(cc1C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.169g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.166g/mol
Monoisotopic Mass:
287.169g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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