AG007U79

171364-85-5 | Quinoline-3-boronic acid, pinacol ester

AG007U79

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CAS Number	171364-85-5
Catalog Number	AG007U79(AGN-PC-0NBL9V)
Chemical Name	Quinoline-3-boronic acid, pinacol ester
IUPAC Name	3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
InChI	InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)12-9-11-7-5-6-8-13(11)17-10-12/h5-10H,1-4H3
InChI Key	ARRJAONCYUAPJR-UHFFFAOYSA-N
MDL Number	MFCD05155218
Molecular Formula	C15H18BNO2
Molecular Weight	255.1199
SMILES	CC1(OB(C2=CC3=CC=CC=C3N=C2)OC1(C)C)C
Synonyms	171364-85-5, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline, Quinoline-3-boronic acid pinacol ester, 3-Quinolineboronic acid pinacol ester, Quinoline-3-boronic acid pinacolate, Quinoline-3-boronic acid, pinacol ester, 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline, QUINOLINE, 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 3-Quinolineboronic acid pinacol ester, 97%, PubChem1882, SCHEMBL167417, CTK8B3147, KS-00000IZS, DTXSID00445795, ARRJAONCYUAPJR-UHFFFAOYSA-N, Quinoline-3-boronic acidpinacolate, BCP26740, ANW-41844, CQ-002, MFCD05155218, 3-quinoline-boronic acid pinacol ester, AKOS004114766, ZINC169743492, AB21547, AM86067, CS-W020549, EBD2332976, GS-6488, QC-4700, RTX-010949, TRA0050562, AN-30800, BC000928, N810, AB0016059, 3-Quinolineboronic acid pinacol ester, 95%, 4CH-001272, FT-0690024, A22838, B-3368, J-010718, 2-(3-Quinolyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4,4,5,5-Tetramethyl-2-(3-quinolyl)-1,3,2-dioxaborolane, 3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-quinoline, 3-(4,4,5,5-tetramethyl-1,3,2,-dioxaborolan-2-yl)quinoline, Quinoline,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, C15H18BNO2, Quinoline-3-boronicacidpinacolester, ACN-032843, CID10848590, T3180,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.143g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	255.124g/mol
Monoisotopic Mass	255.143g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	31.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number