AG008GTQ

850567-51-0 | 3-Aminophenylboronic acid, pinacol ester, HCl

AG008GTQ

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CAS Number	850567-51-0
Catalog Number	AG008GTQ(AGN-PC-0713CK)
Chemical Name	3-Aminophenylboronic acid, pinacol ester, HCl
IUPAC Name	3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;hydrochloride
InChI	InChI=1S/C12H18BNO2.ClH/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9;/h5-8H,14H2,1-4H3;1H
InChI Key	JKYHLNAXOSAGCE-UHFFFAOYSA-N
MDL Number	MFCD06659920
Molecular Formula	C12H19BClNO2
Molecular Weight	255.5488
SMILES	Cl.O1(C(C(C)(C)OB1C2(=CC(N)=CC=C2))(C)C)
Synonyms	850567-51-0, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline hydrochloride, 3-Aminophenylboronic acid, pinacol ester, HCl, 3-Aminobenzeneboronic acid, pinacol ester hydrochloride, 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline hydrochloride, CTK8B3746, DTXSID80657273, KS-000022LD, ZX-AT009855, ANW-43085, MFCD06659920, OR4027, AKOS016005601, AB26640, AS-2992, RTR-026445, AX8236280, TR-026445, A-3766, 3-Aminobenzeneboronic acid,pinacol ester hydrochloride, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline--hydrogen chloride (1/1), 3-AMINOPHENYLBORONIC ACID PINACOL ESTER HYDROCHLORIDE, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)anilinehydrochloride,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.12g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	255.549g/mol
Monoisotopic Mass	255.12g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44.5A^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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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