AG000O3C

1256355-32-4 | Boronic acid, B-(4-amino-3-fluorophenyl)-, hydrochloride (1:1)

AG000O3C

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CAS Number	1256355-32-4
Catalog Number	AG000O3C(AGN-PC-07XTDC)
Chemical Name	Boronic acid, B-(4-amino-3-fluorophenyl)-, hydrochloride (1:1)
IUPAC Name	(4-amino-3-fluorophenyl)boronic acid;hydrochloride
InChI	InChI=1S/C6H7BFNO2.ClH/c8-5-3-4(7(10)11)1-2-6(5)9;/h1-3,10-11H,9H2;1H
InChI Key	NXCNVCKJELIVDM-UHFFFAOYSA-N
MDL Number	MFCD11867880
Molecular Formula	C6H8BClFNO2
Molecular Weight	191.3956
SMILES	FC1=CC(B(O)O)=CC=C1N.[H]Cl
Synonyms	1256355-32-4, 4-Amino-3-fluorophenylboronic acid, hydrochloride, 4-Amino-3-fluorophenylboronic acid hydrochloride, (4-Amino-3-fluorophenyl)boronic acid hydrochloride, 4-Amino-3-fluorophenylboronic acid,hydrochloride, 4-Amino-3-fluorophenylboronic acid hydrochloride, 97%, CTK4B4604, DTXSID90674173, ZXBA000603, ANW-18479, MFCD11867880, AKOS015847874, RTR-035264, 4-Amino-3-fluorophenylboronic acid, HCl, PC412221, TR-035264, X1927, B-6761, J-005251, (4-Amino-3-fluorophenyl)boronic acid--hydrogen chloride (1/1), Boronic acid, B-(4-amino-3-fluorophenyl)-, hydrochloride (1:1), C6H8BClFNO2, 4-Amino-3-fluorophenylboronic acid,HCl, 4-AMINO-3-FLUOROPHENYLBORONIC ACID, 494752-42-0,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.032g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	191.393g/mol
Monoisotopic Mass	191.032g/mol
Rotatable Bond Count	1
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	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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