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1246372-53-1

1246372-53-1 | tert-Butyl 4-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)piperidine-1-carboxyl96%

CAS No: 1246372-53-1 Catalog No: AG009WSM MDL No:MFCD16618965

Product Description

Catalog Number:
AG009WSM
Chemical Name:
tert-Butyl 4-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)piperidine-1-carboxyl96%
CAS Number:
1246372-53-1
Molecular Formula:
C23H36BNO6
Molecular Weight:
433.3460
MDL Number:
MFCD16618965
IUPAC Name:
tert-butyl 4-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidine-1-carboxylate
InChI:
InChI=1S/C23H36BNO6/c1-21(2,3)29-20(26)25-13-11-17(12-14-25)28-18-10-9-16(15-19(18)27-8)24-30-22(4,5)23(6,7)31-24/h9-10,15,17H,11-14H2,1-8H3
InChI Key:
WYQSHXOVIQEQIP-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC1CCN(CC1)C(=O)OC(C)(C)C)B1OC(C(O1)(C)C)(C)C

Properties

Complexity:
610  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.264g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
433.352g/mol
Monoisotopic Mass:
433.264g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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