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Home > Boronic Acids > 1428329-80-9
1428329-80-9 | 1-(Methylsulfonyl)-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine
CAS No: 1428329-80-9 Catalog No: AG00A17N MDL No:MFCD29919913
Product Description
Catalog Number:
AG00A17N
Chemical Name:
1-(Methylsulfonyl)-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine
CAS Number:
1428329-80-9
Molecular Formula:
C18H28BNO4S
Molecular Weight:
365.2952
MDL Number:
MFCD29919913
IUPAC Name:
1-methylsulfonyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine
InChI:
InChI=1S/C18H28BNO4S/c1-17(2)18(3,4)24-19(23-17)16-8-6-14(7-9-16)15-10-12-20(13-11-15)25(5,21)22/h6-9,15H,10-13H2,1-5H3
InChI Key:
DTGDCKYWMHHVHA-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)N1CCC(CC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.183g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.295g/mol
Monoisotopic Mass:
365.183g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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