AG001TEP

1627722-90-0 | 8-Quinolinecarboxylic acid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester

AG001TEP

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CAS Number	1627722-90-0
Catalog Number	AG001TEP(AGN-PC-0WAMEM)
Chemical Name	8-Quinolinecarboxylic acid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
IUPAC Name	methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-8-carboxylate
InChI	InChI=1S/C17H20BNO4/c1-16(2)17(3,4)23-18(22-16)13-9-8-12(15(20)21-5)14-11(13)7-6-10-19-14/h6-10H,1-5H3
InChI Key	UMWQESYBUOYDQT-UHFFFAOYSA-N
MDL Number	MFCD29056883
Molecular Formula	C17H20BNO4
Molecular Weight	313.1560
SMILES	O=C(C1=C2N=CC=CC2=C(B3OC(C)(C)C(C)(C)O3)C=C1)OC
Synonyms	Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-8-carboxylate, 1627722-90-0, AK187845, KS-00000TA9, MFCD29056883, AKOS025405536, ZINC253533774, DS-9826, 8-Quinolinecarboxylic acid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester,

Complexity	452
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	313.149g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	313.16g/mol
Monoisotopic Mass	313.149g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57.6A^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

Certificate of Analysis

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