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Home > Boronic Acids > 1548827-83-3

1548827-83-3

1548827-83-3 | 1-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzene]sulfonyl}piperidine

CAS No: 1548827-83-3 Catalog No: AG00HYAK MDL No:MFCD18915049

Product Description

Catalog Number:
AG00HYAK
Chemical Name:
1-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzene]sulfonyl}piperidine
CAS Number:
1548827-83-3
Molecular Formula:
C17H26BNO4S
Molecular Weight:
351.2686
MDL Number:
MFCD18915049
IUPAC Name:
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpiperidine
InChI:
InChI=1S/C17H26BNO4S/c1-16(2)17(3,4)23-18(22-16)14-8-10-15(11-9-14)24(20,21)19-12-6-5-7-13-19/h8-11H,5-7,12-13H2,1-4H3
InChI Key:
HVHVUNFUBNABBQ-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)S(=O)(=O)N1CCCCC1

Properties

Complexity:
527  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.168g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.268g/mol
Monoisotopic Mass:
351.168g/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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