AG0093ZE

1187874-94-7 | 4-Hydroxy-3-(trifluoromethyl)phenylboronic acid

AG0093ZE

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CAS Number	1187874-94-7
Catalog Number	AG0093ZE(AGN-PC-0BULDQ)
Chemical Name	4-Hydroxy-3-(trifluoromethyl)phenylboronic acid
IUPAC Name	[4-hydroxy-3-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C7H6BF3O3/c9-7(10,11)5-3-4(8(13)14)1-2-6(5)12/h1-3,12-14H
InChI Key	GAQZFSBHSWBMRW-UHFFFAOYSA-N
MDL Number	MFCD18384143
Molecular Formula	C7H6BF3O3
Molecular Weight	205.9269
SMILES	FC(C1=CC(B(O)O)=CC=C1O)(F)F
Synonyms	1187874-94-7, (4-Hydroxy-3-(trifluoromethyl)phenyl)boronic acid, 4-Hydroxy-3-(trifluoromethyl)phenylboronic acid, AK118740, Boronic acid, B-[4-hydroxy-3-(trifluoromethyl)phenyl]-, [4-hydroxy-3-(trifluoromethyl)phenyl]boronic acid, SCHEMBL7895094, KS-00000QZJ, DTXSID30726928, MFCD18384143, AKOS016000523, ZINC169747135, CS-W006877, DS-5392, FCH1368511, BC001484, PC448021, AX8244156, ST2408034, 4CH-016197, AM20080766, FT-0706943, Y3774, Q-8778, C7H6BF3O3, (4-Hydroxy-3-(trifluoromethyl)phenyl)boronicacid,

Complexity	197
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.036g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	205.927g/mol
Monoisotopic Mass	206.036g/mol
Rotatable Bond Count	1
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	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number