AG00FAHB

685103-98-4 | 4-Isoquinolineboronic acid pinacol ester

AG00FAHB

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CAS Number	685103-98-4
Catalog Number	AG00FAHB(AGN-PC-0KKO20)
Chemical Name	4-Isoquinolineboronic acid pinacol ester
IUPAC Name	4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline
InChI	InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)13-10-17-9-11-7-5-6-8-12(11)13/h5-10H,1-4H3
InChI Key	LOMKRPABAXIQJL-UHFFFAOYSA-N
MDL Number	MFCD05663891
Molecular Formula	C15H18BNO2
Molecular Weight	255.1199
SMILES	CC1(C)OB(OC1(C)C)C1=CN=CC2=C1C=CC=C2
Synonyms	685103-98-4, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline, 4-Isoquinolineboronic acid pinacol ester, Isoquinoline-4-boronic acid pinacol ester, ISOQUINOLINE-4-BORONIC ACID, PINACOL ESTER, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-isoquinoline, 4-Isoquinolineboronicacidpinacolester, PubChem23522, ACMC-209o3s, SCHEMBL190392, AC1MC315, CTK8B2162, KS-00000HOQ, DTXSID80375248, LOMKRPABAXIQJL-UHFFFAOYSA-N, BM225, ANW-35510, CI-438, KM1208, MFCD05663891, AKOS016001353, ZINC169747544, AB22037, RP29092, RTR-022897, TRA0050495, 4-isoquinolineboronic acid, pinacol ester, AK-40274, AN-27597, DS-13536, Isoquinoline-4-boronic acid pinacol ester, ST2405353, TR-022897, 4CH-018877, A9117, AM20061439, FT-0644845, I0739, 4-Isoquinolineboronic acid pinacol ester, 96%, 103T984, J-513435, 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline, 2-(4-Isoquinolyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 3-hydroxy-2,3-dimethylbutan-2-yl hydrogen isoquinolin-4-ylboronate, 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-isoquinoline, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)isoquinoline, ACN-044299, CID2760594,

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
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number