AG00388U

1061223-45-7 | (4-Fluoro-2-(hydroxymethyl)phenyl)boronic acid

AG00388U

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CAS Number	1061223-45-7
Catalog Number	AG00388U(AGN-PC-0WAADP)
Chemical Name	(4-Fluoro-2-(hydroxymethyl)phenyl)boronic acid
IUPAC Name	[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid
InChI	InChI=1S/C7H8BFO3/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-3,10-12H,4H2
InChI Key	WDCNOFNVHZOFOW-UHFFFAOYSA-N
MDL Number	MFCD22205750
Molecular Formula	C7H8BFO3
Molecular Weight	169.9460
SMILES	OCC1=CC(F)=CC=C1B(O)O
Synonyms	1061223-45-7, (4-Fluoro-2-(hydroxymethyl)phenyl)boronic acid, 4-Fluoro-2-(hydroxymethyl)phenylboronic acid, [4-fluoro-2-(hydroxymethyl)phenyl]boronic acid, AK-93590, ACMC-2098ir, SCHEMBL456808, CTK8A9120, DTXSID30648090, WDCNOFNVHZOFOW-UHFFFAOYSA-N, ANW-15313, MFCD22205750, AKOS015999538, ZINC169746522, AM90013, FCH1614141, DS-17860, PC412424, 4-fluoro-2-hydroxymethylphenylboronic acid, AX8230973, Fluoro-2-(hydroxymethyl)phenyl]boronic acid, TC-104058, CS-0043782, ST24020560, Z6840, B-8767, C7H8BFO3, ACN-044285, (4-Fluoro-2-(hydroxymethyl)phenyl)boronicacid,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.055g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	169.946g/mol
Monoisotopic Mass	170.055g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	60.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number