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Home > Boronic Acids > 1206641-59-9
1206641-59-9 | 1-methanesulfonyl-4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperazine
CAS No: 1206641-59-9 Catalog No: AG00HFKA MDL No:MFCD18383916
Product Description
Catalog Number:
AG00HFKA
Chemical Name:
1-methanesulfonyl-4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperazine
CAS Number:
1206641-59-9
Molecular Formula:
C18H29BN2O4S
Molecular Weight:
380.3099
MDL Number:
MFCD18383916
IUPAC Name:
1-methylsulfonyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine
InChI:
InChI=1S/C18H29BN2O4S/c1-17(2)18(3,4)25-19(24-17)16-8-6-15(7-9-16)14-20-10-12-21(13-11-20)26(5,22)23/h6-9H,10-14H2,1-5H3
InChI Key:
VMWJWKWPUPMSCY-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.194g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.31g/mol
Monoisotopic Mass:
380.194g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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