AG000O46

1256355-53-9 | Boronic acid, B-[3-fluoro-2-(phenylmethoxy)phenyl]-

AG000O46

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CAS Number	1256355-53-9
Catalog Number	AG000O46(AGN-PC-0WA664)
Chemical Name	Boronic acid, B-[3-fluoro-2-(phenylmethoxy)phenyl]-
IUPAC Name	(3-fluoro-2-phenylmethoxyphenyl)boronic acid
InChI	InChI=1S/C13H12BFO3/c15-12-8-4-7-11(14(16)17)13(12)18-9-10-5-2-1-3-6-10/h1-8,16-17H,9H2
InChI Key	BLCQROGHALPIMD-UHFFFAOYSA-N
MDL Number	MFCD11856034
Molecular Formula	C13H12BFO3
Molecular Weight	246.0420
SMILES	FC1=C(OCC2=CC=CC=C2)C(B(O)O)=CC=C1
Synonyms	1256355-53-9, 2-BENZYLOXY-3-FLUOROPHENYLBORONIC ACID, (2-(Benzyloxy)-3-fluorophenyl)boronic acid, [2-(Benzyloxy)-3-fluorophenyl]boronic acid, ACMC-209az3, CTK4B4624, DTXSID60681879, ANW-18493, MFCD11856034, AKOS015839429, ZINC169748094, BC001689, TR-035285, ST24033768, X1947, B-2450, I04-2177, Boronic acid, B-[3-fluoro-2-(phenylmethoxy)phenyl]-, C13H12BFO3,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.086g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	246.044g/mol
Monoisotopic Mass	246.086g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	49.7A^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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number