AG0015PF

1217500-53-2 | Boronic acid, B-[2-fluoro-6-(phenylmethoxy)phenyl]-

AG0015PF

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CAS Number	1217500-53-2
Catalog Number	AG0015PF(AGN-PC-0WA66D)
Chemical Name	Boronic acid, B-[2-fluoro-6-(phenylmethoxy)phenyl]-
IUPAC Name	(2-fluoro-6-phenylmethoxyphenyl)boronic acid
InChI	InChI=1S/C13H12BFO3/c15-11-7-4-8-12(13(11)14(16)17)18-9-10-5-2-1-3-6-10/h1-8,16-17H,9H2
InChI Key	NBRVDQVRGXXXIE-UHFFFAOYSA-N
MDL Number	MFCD11617256
Molecular Formula	C13H12BFO3
Molecular Weight	246.0420
SMILES	FC1=C(B(O)O)C(OCC2=CC=CC=C2)=CC=C1
Synonyms	1217500-53-2, 2-Benzyloxy-6-fluorophenylboronic acid, (2-(Benzyloxy)-6-fluorophenyl)boronic acid, 2-(benzyloxy)-6-fluorophenylboronic acid, BORONIC ACID, B-[2-FLUORO-6-(PHENYLMETHOXY)PHENYL]-, [2-(Benzyloxy)-6-fluorophenyl]boronic acid, ACMC-209af5, CTK4B2627, DTXSID40659359, ANW-17775, AKOS015839412, ZINC169745499, CB-1582, FCH2839594, RL00976, BC001140, PC412011, AX8196455, BENZYLOXY-6-FLUOROPHENYLBORONIC ACID, DB-027822, TR-034647, FT-0686853, ST24026116, Y3856, A-5510, I04-0641, I04-2164, J-508127, C13H12BFO3, (2-fluoro-6-phenylmethoxyphenyl)boronic acid,

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-P305+P351+P338
UN Code

Certificate of Analysis

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