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Home > Boronic Acids > 2246772-09-6
2246772-09-6 | Benzonitrile, 2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]-
CAS No: 2246772-09-6 Catalog No: AG01EHYF MDL No:
Product Description
Catalog Number:
AG01EHYF
Chemical Name:
Benzonitrile, 2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]-
CAS Number:
2246772-09-6
Molecular Formula:
C20H22BNO3
Molecular Weight:
335.2046
IUPAC Name:
2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]benzonitrile
InChI:
InChI=1S/C20H22BNO3/c1-19(2)20(3,4)25-21(24-19)17-10-7-11-18(12-17)23-14-16-9-6-5-8-15(16)13-22/h5-12H,14H2,1-4H3
InChI Key:
NZECDMMIVDMXGK-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1COc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.169g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.21g/mol
Monoisotopic Mass:
335.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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