AG000503

1016231-39-2 | Boronic acid, B-(2-fluoro-3-iodophenyl)-

AG000503

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CAS Number	1016231-39-2
Catalog Number	AG000503(AGN-PC-00UQFV)
Chemical Name	Boronic acid, B-(2-fluoro-3-iodophenyl)-
IUPAC Name	(2-fluoro-3-iodophenyl)boronic acid
InChI	InChI=1S/C6H5BFIO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,10-11H
InChI Key	NNMDGAIATJXYFJ-UHFFFAOYSA-N
MDL Number	MFCD05664305
Molecular Formula	C6H5BFIO2
Molecular Weight	265.8166
SMILES	FC1=C(C=CC=C1I)B(O)O
Synonyms	2-Fluoro-3-iodophenylboronic acid, 1016231-39-2, (2-Fluoro-3-iodophenyl)boronic acid, BORONIC ACID, B-(2-FLUORO-3-IODOPHENYL)-, AK-54284, ACMC-2097w2, SCHEMBL3319704, 2-Fluoro-3-iodophenylboronicacid, CTK4A0024, DTXSID60584396, KS-00000J5G, ANW-14496, MFCD05664305, AKOS015854336, ZINC169747984, AB22344, CS-W009448, FCH1376775, FLUORO-3-IODOPHENYLBORONIC ACID, RL00083, RTR-000407, TRA0064913, VB10280, BC001120, DS-14458, PC412033, SY104745, AX8196245, DB-021065, TR-000407, C2455, FT-0653006, ST24033892, Y3525, MFCD05664305 (95%), A19529, Q-8836, I04-0693, J-509370, C6H5BFIO2, ACN-046547, 121071-71-4,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.941g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	265.817g/mol
Monoisotopic Mass	265.941g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number