AG003I2Y

1072952-03-4 | (3-((4-Fluorobenzyl)oxy)phenyl)boronic acid

AG003I2Y

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CAS Number	1072952-03-4
Catalog Number	AG003I2Y(AGN-PC-0WNRHH)
Chemical Name	(3-((4-Fluorobenzyl)oxy)phenyl)boronic acid
IUPAC Name	[3-[(4-fluorophenyl)methoxy]phenyl]boronic acid
InChI	InChI=1S/C13H12BFO3/c15-12-6-4-10(5-7-12)9-18-13-3-1-2-11(8-13)14(16)17/h1-8,16-17H,9H2
InChI Key	WSTWPQWJAKLITI-UHFFFAOYSA-N
MDL Number	MFCD08705238
Molecular Formula	C13H12BFO3
Molecular Weight	246.0420
SMILES	FC1=CC=C(C=C1)COC2=CC(B(O)O)=CC=C2
Synonyms	1072952-03-4, 3-(4'-Fluorobenzyloxy)phenylboronic acid, (3-((4-Fluorobenzyl)oxy)phenyl)boronic acid, {3-[(4-Fluorophenyl)methoxy]phenyl}boronic acid, SCHEMBL459524, CTK8E9232, DTXSID70584802, MFCD08705238, AKOS009318759, ZINC169903750, RTR-001659, AS-55262, BP-11436, PC430502, AX8261390, TR-001659, X1573, 3-(4 inverted exclamation marka-Fluorobenzyloxy)phenylboronic acid, C13H12BFO3,

Complexity	244
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

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