AG008NXT

779331-49-6 | 4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

AG008NXT

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CAS Number	779331-49-6
Catalog Number	AG008NXT(AGN-PC-0BG7RD)
Chemical Name	4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
IUPAC Name	4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
InChI	InChI=1S/C12H16BFO3/c1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15/h5-7,15H,1-4H3
InChI Key	QZZFCSYBTMZNTR-UHFFFAOYSA-N
MDL Number	MFCD16994352
Molecular Formula	C12H16BFO3
Molecular Weight	238.0630
SMILES	OC1=CC=C(F)C=C1B2OC(C)(C)C(C)(C)O2
Synonyms	4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol, 779331-49-6, 5-Fluoro-2-hydroxyphenylboronic acid, pinacol ester, SCHEMBL1095116, CTK8B6352, DTXSID70718241, QZZFCSYBTMZNTR-UHFFFAOYSA-N, ANW-53325, MFCD16994352, AKOS015999541, ZINC169747492, FCH2775113, FS-5259, MB15458, AK-93593, PC412428, AX8230975, ST2405783, TC-142070, A-3121, 5-Fluoro-2-hydroxyphenylboronic acid,pinacol ester, 4-Fluoro-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenol, 5-Fluoro-2-hydroxyphenylboronic acid pinacol ester,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.118g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	238.065g/mol
Monoisotopic Mass	238.118g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.7A^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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