AG002FP6

192182-56-2 | Boronic acid, B-4-isoquinolinyl-

AG002FP6

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CAS Number	192182-56-2
Catalog Number	AG002FP6(AGN-PC-0KZOT5)
Chemical Name	Boronic acid, B-4-isoquinolinyl-
IUPAC Name	isoquinolin-4-ylboronic acid
InChI	InChI=1S/C9H8BNO2/c12-10(13)9-6-11-5-7-3-1-2-4-8(7)9/h1-6,12-13H
InChI Key	GDTOUTKTCGPAGY-UHFFFAOYSA-N
MDL Number	MFCD03412093
Molecular Formula	C9H8BNO2
Molecular Weight	172.9763
SMILES	OB(C1=CN=CC2=C1C=CC=C2)O
Synonyms	Isoquinoline-4-boronic acid, 192182-56-2, 4-Isoquinolineboronic acid, Isoquinolin-4-ylboronic Acid, 4-?Isoquinolineboronic acid, (isoquinolin-4-yl)boronic acid, 4-isoquinolylboronic acid, Boronic acid, 4-isoquinolinyl-, 4-ISOQUINOLINYLBORONIC ACID, 4-Boronoisoquinoline, PubChem6291, ACMC-209evq, AC1MX7JH, 4-isoquinoline boronic acid, (4-Isoquinolyl)boronic acid, Iso-Quinoline-4-boronic acid, SCHEMBL112184, Jsp003950, Boronic acid,B-4-isoquinolinyl-, CTK4E0917, DTXSID60396057, GDTOUTKTCGPAGY-UHFFFAOYSA-N, BM229, Boronic acid, B-4-isoquinolinyl-, BCP21911, STR07312, ANW-23556, CI-199, MFCD03412093, SBB052592, AKOS004116394, ZINC169743742, AB14365, ACN-001753, AM86728, CS-W017566, LS11118, MCULE-8893372161, RL02423, RP02764, RTR-008922, TRA0002781, VB10338, ISOQUINOLIN-4-YL-4-BORONIC ACID, AK-33903, AN-13240, BC000887, Q995, SC-02086, SY004001, AB0017936, AB1000001, DB-029931, ST2407059, TL8001574, TR-008922, 4CH-001361, FT-0603709, C-1476, MFCD03412093 (95+%), 182I562, I08-0064, J-012422, Luliconazole, Isoquinoline-4-boronicacid, C9H8BNO2, CID3761204, Isoquinoline-4-boronic acid, 97% - 1G 1g, 187164-19-8,

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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