AG007WHM

1073355-04-0 | 3-[3-(Ethoxycarbonyl)piperidine-1-carbonyl]phenylboronic acid pinacol ester

AG007WHM

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CAS Number	1073355-04-0
Catalog Number	AG007WHM(AGN-PC-07XU1G)
Chemical Name	3-[3-(Ethoxycarbonyl)piperidine-1-carbonyl]phenylboronic acid pinacol ester
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
MDL Number	MFCD09266178
Molecular Formula	C21H30BNO5
Molecular Weight	387.2776
SMILES	O=C(C1CN(C(C2=CC=CC(B3OC(C)(C)C(C)(C)O3)=C2)=O)CCC1)OCC
Synonyms	1073355-04-0, Ethyl 1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl)piperidine-3-carboxylate, 3-[3-(Ethoxycarbonyl)piperidine-1-carbonyl]phenylboronic acid pinacol ester, ethyl 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperidine-3-carboxylate, CTK8B3312, DTXSID50674674, ANW-42255, MFCD09266178, AKOS015999465, RTR-001764, OR361191, AX8230827, TR-001764, ST24024763, B-6401, J-001861,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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