AG007AG0

371766-08-4 | Isoquinolin-5-ylboronic acid

AG007AG0

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CAS Number	371766-08-4
Catalog Number	AG007AG0(AGN-PC-0JTKAY)
Chemical Name	Isoquinolin-5-ylboronic acid
IUPAC Name	isoquinolin-5-ylboronic acid
InChI	InChI=1S/C9H8BNO2/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6,12-13H
InChI Key	XKEYHBLSCGBBGU-UHFFFAOYSA-N
MDL Number	MFCD03839356
Molecular Formula	C9H8BNO2
Molecular Weight	172.9763
SMILES	OB(O)C1=CC=CC2=C1C=CN=C2
Synonyms	Isoquinoline-5-boronic acid, 371766-08-4, isoquinolin-5-ylboronic acid, 5-Isoquinolineboronic acid, isoquinolin-5-yl-5-boronic acid, Boronic acid, 5-isoquinolinyl-, MFCD03839356, (isoquinolin-5-yl)boronic acid, XKEYHBLSCGBBGU-UHFFFAOYSA-N, 5-Isoquinolineboronicacid, Isoquinoline-5-boric acid, 5-Boronoisoquinoline, AC1LCCZF, ACMC-209ird, 5-isoquinolylboronic acid, isoquinolin-5-boronic acid, 5-Isoquinolinylboronic acid, 5-isoquinoline boronic acid, 5-Isoquinolineboronic acid?, (5-Isoquinolyl)boronic acid, Isoquinolin-5-Yl-Boranediol, 5-Isoquinolinylboronic acid #, SCHEMBL419728, AC1Q713Z, Boronic acid,B-5-isoquinolinyl-, CTK4H7866, DTXSID90344783, ALBB-011851, BCP15570, ANW-28583, CI-224, AKOS003237554, ZINC169745327, AC-3138, AM86912, CS-W005054, I3970G1, MCULE-1451694874, PS-9460, RP02766, RTC-069050, VB10761, 5-Isoquinolineboronic acid, >=95.0%, AC-26877, AK-34899, AN-28618, BC001314, SC-53246, AB0029214, AB1007616, TC-069050, 4CH-026735, A4235, A6386, BB 0262318, FT-0603963, ST24047451, X1354, 66I084, C-1521, I14-0109, J-521573, F0001-1067, null, Isoquinoline-4-boronic acid, Isoquinoline-4-boronicacid, C9H8BNO2, Isoquinolin-4-ylboronic Acid, CID599474, ACN-038614, Isoquinoline-5-boronic acid hydrochloride, Isoquinolin-5-ylboronic acid hydrochloride, C2809, 192182-56-2,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.065g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	172.978g/mol
Monoisotopic Mass	173.065g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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