AG000LTH

1243143-45-4 | Phenol, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-

AG000LTH

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CAS Number	1243143-45-4
Catalog Number	AG000LTH(AGN-PC-0WB66B)
Chemical Name	Phenol, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-
IUPAC Name	4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenol
InChI	InChI=1S/C13H16BF3O3/c1-11(2)12(3,4)20-14(19-11)8-5-6-10(18)9(7-8)13(15,16)17/h5-7,18H,1-4H3
InChI Key	WZSVHNDUFOKGNN-UHFFFAOYSA-N
MDL Number	MFCD16994250
Molecular Formula	C13H16BF3O3
Molecular Weight	288.0705
SMILES	OC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1C(F)(F)F
Synonyms	1243143-45-4, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIFLUOROMETHYL)PHENOL, 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-2-trifluoromethyl-phenol, SCHEMBL3790441, WZSVHNDUFOKGNN-UHFFFAOYSA-N, ZX-CM010823, MFCD16994250, AKOS025287464, ZINC169993780, AM85233, CS-W004405, FCH2775014, MB15203, AS-55765, A-6809, 4-Hydroxy-3-trifluoromethylphenylboronic acid pinacol ester, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl) phenol, PHENOL, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIFLUOROMETHYL)-, ACN-046455,

Complexity	354
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	288.114g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	288.073g/mol
Monoisotopic Mass	288.114g/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-P305+P351+P338
UN Code

Certificate of Analysis

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