AG008STY

1072946-45-2 | 4-(AMINOMETHYL)-3-FLUOROPHENYLBORONIC ACID, HCL

AG008STY

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CAS Number	1072946-45-2
Catalog Number	AG008STY(AGN-PC-07XTXS)
Chemical Name	4-(AMINOMETHYL)-3-FLUOROPHENYLBORONIC ACID, HCL
IUPAC Name	[4-(aminomethyl)-3-fluorophenyl]boronic acid;hydrochloride
InChI	InChI=1S/C7H9BFNO2.ClH/c9-7-3-6(8(11)12)2-1-5(7)4-10;/h1-3,11-12H,4,10H2;1H
InChI Key	HOFYPLPXUYJZCR-UHFFFAOYSA-N
MDL Number	MFCD11053810
Molecular Formula	C7H10BClFNO2
Molecular Weight	205.4222
SMILES	FC1=CC(B(O)O)=CC=C1CN.[H]Cl
Synonyms	1072946-45-2, (4-(Aminomethyl)-3-fluorophenyl)boronic acid hydrochloride, 4-(Aminomethyl)-3-fluorophenylboronic acid, HCl, AK-84741, 4-(Aminomethyl)-3-fluorophenylboronic acid hydrochloride, KS-00000RSY, DTXSID30674551, HOFYPLPXUYJZCR-UHFFFAOYSA-N, MFCD11053810, AKOS015893785, DS-17547, PC412223, AX8261387, CS-0060426, X1548, 4-(Aminomethyl)-3-fluorophenylboronic acid HCl, A-3732, 4-(aminomethyl)-3-fluorophenylboronic acid HCl salt, I04-6523, J-001771, (4-(AMINOMETHYL)-3-FLUOROPHENYL)BORONIC ACID HCL, 4-(Aminomethyl)-3-fluorophenylboronic acid,hydrochloride, [4-(aminomethyl)-3-fluoro-phenyl]boronic acid hydrochloride, [4-(Aminomethyl)-3-fluorophenyl]boronic acid--hydrogen chloride (1/1), C7H10BClFNO2,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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