AG004P9E

857283-63-7 | 3-(Pyrrilidyl)phenylboronic acid pinacol ester

AG004P9E

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CAS Number	857283-63-7
Catalog Number	AG004P9E(AGN-PC-0V22F6)
Chemical Name	3-(Pyrrilidyl)phenylboronic acid pinacol ester
IUPAC Name	1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine
InChI	InChI=1S/C16H24BNO2/c1-15(2)16(3,4)20-17(19-15)13-8-7-9-14(12-13)18-10-5-6-11-18/h7-9,12H,5-6,10-11H2,1-4H3
InChI Key	ATWXYVDFJLESJV-UHFFFAOYSA-N
MDL Number	MFCD08271900
Molecular Formula	C16H24BNO2
Molecular Weight	273.1783
SMILES	CC1(C)OB(OC1(C)C)C1=CC=CC(=C1)N1CCCC1
Synonyms	857283-63-7, 1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidine, 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine, 3-(Pyrrilidyl)phenylboronic acid pinacol ester, J-504095, SCHEMBL1726528, CTK5F5649, DTXSID90594504, ATWXYVDFJLESJV-UHFFFAOYSA-N, ALBB-030553, ANW-41809, MFCD08271900, AKOS015893494, ZINC169836717, AM87261, FCH2816974, RP06531, RTR-026767, AS-55669, OR361581, AX8240055, DB-076412, TR-026767, CS-0061098, FT-0733710, X2501, B-4761, I04-5914, 1-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine, Pyrrolidine,1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, C16H24BNO2, 1-[3- PHENYL]PYRROLIDINE,

Complexity	336
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273.19g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	273.183g/mol
Monoisotopic Mass	273.19g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	21.7A^2
Undefined Atom Stereocenter Count	0
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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