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Home > Boronic Acids > 1292317-54-4
1292317-54-4 | Benzonitrile, 2-[(tetrahydro-2H-pyran-4-yl)oxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1292317-54-4 Catalog No: AG000YZ7 MDL No:MFCD22393670
Product Description
Catalog Number:
AG000YZ7
Chemical Name:
Benzonitrile, 2-[(tetrahydro-2H-pyran-4-yl)oxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1292317-54-4
Molecular Formula:
C18H24BNO4
Molecular Weight:
329.1985
MDL Number:
MFCD22393670
IUPAC Name:
2-(oxan-4-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C18H24BNO4/c1-17(2)18(3,4)24-19(23-17)14-5-6-16(13(11-14)12-20)22-15-7-9-21-10-8-15/h5-6,11,15H,7-10H2,1-4H3
InChI Key:
KDNMWKAKGCTBCA-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1OC1CCOCC1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.18g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.203g/mol
Monoisotopic Mass:
329.18g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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