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Home > Boronic Acids > 406482-72-2
406482-72-2 | 4'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)biphenyl-4-carbonitrile
CAS No: 406482-72-2 Catalog No: AG00C0ZA MDL No:MFCD17015781
Product Description
Catalog Number:
AG00C0ZA
Chemical Name:
4'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)biphenyl-4-carbonitrile
CAS Number:
406482-72-2
Molecular Formula:
C19H20BNO2
Molecular Weight:
305.1786
MDL Number:
MFCD17015781
IUPAC Name:
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzonitrile
InChI:
InChI=1S/C19H20BNO2/c1-18(2)19(3,4)23-20(22-18)17-11-9-16(10-12-17)15-7-5-14(13-21)6-8-15/h5-12H,1-4H3
InChI Key:
UQGDIRDLIFFOHN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.159g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.184g/mol
Monoisotopic Mass:
305.159g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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