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Home > Boronic Acids > 1245831-55-3
1245831-55-3 | 1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclobutanecarbonitrile
CAS No: 1245831-55-3 Catalog No: AG009W59 MDL No:MFCD19689512
Product Description
Catalog Number:
AG009W59
Chemical Name:
1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclobutanecarbonitrile
CAS Number:
1245831-55-3
Molecular Formula:
C17H22BNO2
Molecular Weight:
283.1731
MDL Number:
MFCD19689512
IUPAC Name:
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutane-1-carbonitrile
InChI:
InChI=1S/C17H22BNO2/c1-15(2)16(3,4)21-18(20-15)14-8-6-13(7-9-14)17(12-19)10-5-11-17/h6-9H,5,10-11H2,1-4H3
InChI Key:
RRILNLLICJXSIA-UHFFFAOYSA-N
SMILES:
N#CC1(CCC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.174g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.178g/mol
Monoisotopic Mass:
283.174g/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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