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Home > Boronic Acids > 401895-68-9
401895-68-9 | 1-(3-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)propyl)piperidine
CAS No: 401895-68-9 Catalog No: AG00741K MDL No:MFCD09475821
Product Description
Catalog Number:
AG00741K
Chemical Name:
1-(3-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)propyl)piperidine
CAS Number:
401895-68-9
Molecular Formula:
C20H32BNO3
Molecular Weight:
345.2840
MDL Number:
MFCD09475821
IUPAC Name:
1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]piperidine
InChI:
InChI=1S/C20H32BNO3/c1-19(2)20(3,4)25-21(24-19)17-9-11-18(12-10-17)23-16-8-15-22-13-6-5-7-14-22/h9-12H,5-8,13-16H2,1-4H3
InChI Key:
HAAFQCQAHKMHJF-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)OCCCN1CCCCC1
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.248g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.29g/mol
Monoisotopic Mass:
345.248g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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