AG004Z7V

850568-02-4 | Boronic acid, B-​[2-​(aminomethyl)​-​4-​fluorophenyl]​-​, hydrochloride (1:1)

AG004Z7V

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CAS Number	850568-02-4
Catalog Number	AG004Z7V(AGN-PC-0UX3KC)
Chemical Name	Boronic acid, B-​[2-​(aminomethyl)​-​4-​fluorophenyl]​-​, hydrochloride (1:1)
IUPAC Name	[2-(aminomethyl)-4-fluorophenyl]boronic acid;hydrochloride
InChI	InChI=1S/C7H9BFNO2.ClH/c9-6-1-2-7(8(11)12)5(3-6)4-10;/h1-3,11-12H,4,10H2;1H
InChI Key	IWBXNXDYMQDTHO-UHFFFAOYSA-N
MDL Number	MFCD04973742
Molecular Formula	C7H10BClFNO2
Molecular Weight	205.4222
SMILES	C(N)c1c(B(O)O)ccc(c1)F.Cl
Synonyms	850568-02-4, (2-(Aminomethyl)-4-fluorophenyl)boronic acid hydrochloride, 2-Aminomethyl-4-fluorophenylboronic acid, HCl, 2-Aminomethyl-4-fluorophenylboronic acid hydrochloride, MFCD04973742, 2-AMINOMETHYL-4-FLUOROBENZENEBORONIC ACID HYDROCHLORIDE, 2-(aminomethyl)-4-fluorophenylboronic acid hydrochloride, 2-BORONO-5-FLUOROBENZYLAMINE HYDROCHLORIDE, 2-Aminomethyl-4-fluorophenylboronic acid,hydrochloride, SCHEMBL3769431, CTK8B3760, DTXSID80661214, IWBXNXDYMQDTHO-UHFFFAOYSA-N, ANW-43126, AKOS015893809, AB21414, RTR-026468, PC412171, AX8070837, TR-026468, 2-Aminomethyl-4-fluorophenylboronic acid HCl, 2-Aminomethyl-4-fluorophenylboronic acid,hcl, FT-0688851, X2397, A-3729, A26767, I04-6562, (2-(Aminomethyl)-4-fluorophenyl)-boronic acid hydrochloride, 2-Aminomethyl-4-fluorophenylboronic acid hydrochloride, AldrichCPR, [2-(Aminomethyl)-4-fluorophenyl]boronic acid--hydrogen chloride (1/1), 2-Aminomethyl-4-fluorophenylboronic acid HCL;2-Borono-5-fluorobenzylamine HCl, C7H10BClFNO2, 2-AMINOMETHYL-4-FLUOROPHENYLBORONICACID,HCL,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.048g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	205.42g/mol
Monoisotopic Mass	205.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66.5A^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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