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Home > Boronic Acids > 1218790-44-3
1218790-44-3 | Piperidine, 1-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thienyl]methyl]-
CAS No: 1218790-44-3 Catalog No: AG00168J MDL No:MFCD11113036
Product Description
Catalog Number:
AG00168J
Chemical Name:
Piperidine, 1-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thienyl]methyl]-
CAS Number:
1218790-44-3
Molecular Formula:
C16H26BNO2S
Molecular Weight:
307.2591
MDL Number:
MFCD11113036
IUPAC Name:
1-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]piperidine
InChI:
InChI=1S/C16H26BNO2S/c1-15(2)16(3,4)20-17(19-15)14-9-8-13(21-14)12-18-10-6-5-7-11-18/h8-9H,5-7,10-12H2,1-4H3
InChI Key:
KDPVLCCGXRCQCV-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(s1)CN1CCCCC1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.259g/mol
Monoisotopic Mass:
307.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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