AG008UAG

1092790-21-0 | Isoquinolin-7-ylboronic acid

AG008UAG

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CAS Number	1092790-21-0
Catalog Number	AG008UAG(AGN-PC-0OZDP8)
Chemical Name	Isoquinolin-7-ylboronic acid
IUPAC Name	isoquinolin-7-ylboronic acid
InChI	InChI=1S/C9H8BNO2/c12-10(13)9-2-1-7-3-4-11-6-8(7)5-9/h1-6,12-13H
InChI Key	SVSZHSMOMDNMLS-UHFFFAOYSA-N
MDL Number	MFCD08234617
Molecular Formula	C9H8BNO2
Molecular Weight	172.9763
SMILES	OB(C1=CC2=C(C=C1)C=CN=C2)O
Synonyms	isoquinolin-7-ylboronic acid, 1092790-21-0, Isoquinoline-7-boronic acid, ISOQUINOLIN-7-YL-7-BORONIC ACID, 7-Boronoisoquinoline, (isoquinolin-7-yl)boronic acid, SCHEMBL622466, CTK8E1985, DTXSID20635136, SVSZHSMOMDNMLS-UHFFFAOYSA-N, BCP23462, MFCD08234617, AKOS006280756, ZINC169748237, PB15965, RP02763, isoquinoline-7-boronic acid, AldrichCPR, AS-30656, SC-33310, SC-49442, AB0071008, DB-059866, TC-069052, CS-0006100, FT-0685843, ST24029855, ST24047453, C-1861, J-521578, 7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISO, Isoquinolin-7-boronic acid, 7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline, 1082947-07-6,

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	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number