AG003R5J

677702-23-7 | Isoquinolin-4-ylboronic acid, HCl

AG003R5J

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CAS Number	677702-23-7
Catalog Number	AG003R5J(AGN-PC-04Z0WS)
Chemical Name	Isoquinolin-4-ylboronic acid, HCl
IUPAC Name	isoquinolin-4-ylboronic acid;hydrochloride
InChI	InChI=1S/C9H8BNO2.ClH/c12-10(13)9-6-11-5-7-3-1-2-4-8(7)9;/h1-6,12-13H;1H
InChI Key	KVBIOGMRHMKPFZ-UHFFFAOYSA-N
MDL Number	MFCD05664061
Molecular Formula	C9H9BClNO2
Molecular Weight	209.4373
SMILES	OB(C1=CN=CC2=C1C=CC=C2)O.[H]Cl
Synonyms	677702-23-7, ISOQUINOLINE-4-BORONIC ACID HYDROCHLORIDE, 4-Isoquinolineboronic acid hydrochloride, Isoquinolin-4-ylboronic acid hydrochloride, Isoquinolin-4-ylboronic acid, HCl, Boronic acid, 4-isoquinolinyl-, hydrochloride, SCHEMBL951403, CTK3I9600, DTXSID50648597, BCP29208, CI-582, MFCD05664061, AKOS025402008, AB22278, CS-W003978, LS11122, TRA0056154, KS-0000112T, AC-28131, AS-17967, RT-004566, TL8007149, FT-0752204, V5010, D-5171, Isoquinolin-4-ylboronic acid--hydrogen chloride (1/1), C9H8BNO2.HCl, Isoquinoline-4-boronicacidhydrochloride, ACN-044128,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.041g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	209.436g/mol
Monoisotopic Mass	209.041g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number