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Home > Boronic Acids > 859833-21-9
859833-21-9 | 1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperidine
CAS No: 859833-21-9 Catalog No: AG004Q4A MDL No:MFCD08435871
Product Description
Catalog Number:
AG004Q4A
Chemical Name:
1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperidine
CAS Number:
859833-21-9
Molecular Formula:
C18H28BNO2
Molecular Weight:
301.2314
MDL Number:
MFCD08435871
IUPAC Name:
1-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidine
InChI:
InChI=1S/C18H28BNO2/c1-17(2)18(3,4)22-19(21-17)16-10-8-9-15(13-16)14-20-11-6-5-7-12-20/h8-10,13H,5-7,11-12,14H2,1-4H3
InChI Key:
KEKNXVTYDJCRMT-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cccc(c1)CN1CCCCC1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.221g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.237g/mol
Monoisotopic Mass:
301.221g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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