Home Boronic acids 3-[3-(Ethoxycarbonyl)piperidine-1-carbonyl]phenylboronic acid pinacol ester

3-[3-(Ethoxycarbonyl)piperidine-1-carbonyl]phenylboronic acid pinacol ester

CAS No.:
1073355-04-0
Catalog Number:
AG007WHM
Molecular Formula:
C21H30BNO5
Molecular Weight:
387.2776
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$207
- +
5g
95%
In Stock USA
United States
$700
- +
Product Description
Catalog Number:
AG007WHM
Chemical Name:
3-[3-(Ethoxycarbonyl)piperidine-1-carbonyl]phenylboronic acid pinacol ester
CAS Number:
1073355-04-0
Molecular Formula:
C21H30BNO5
Molecular Weight:
387.2776
MDL Number:
MFCD09266178
IUPAC Name:
ethyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperidine-3-carboxylate
InChI:
InChI=1S/C21H30BNO5/c1-6-26-19(25)16-10-8-12-23(14-16)18(24)15-9-7-11-17(13-15)22-27-20(2,3)21(4,5)28-22/h7,9,11,13,16H,6,8,10,12,14H2,1-5H3
InChI Key:
NLVFARDMEGKIKR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCN(C1)C(=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
577  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.222g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.283g/mol
Monoisotopic Mass:
387.222g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties