AG003BW0

943918-05-6 | (4-Hydroxy-2-(trifluoromethyl)phenyl)boronic acid

AG003BW0

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CAS Number	943918-05-6
Catalog Number	AG003BW0(AGN-PC-078JMJ)
Chemical Name	(4-Hydroxy-2-(trifluoromethyl)phenyl)boronic acid
IUPAC Name	[4-hydroxy-2-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C7H6BF3O3/c9-7(10,11)5-3-4(12)1-2-6(5)8(13)14/h1-3,12-14H
InChI Key	MHKOVSRFDDLIFU-UHFFFAOYSA-N
MDL Number	MFCD03095345
Molecular Formula	C7H6BF3O3
Molecular Weight	205.9269
SMILES	OB(O)C1=CC=C(O)C=C1C(F)(F)F
Synonyms	943918-05-6, 4-HYDROXY-2-(TRIFLUOROMETHYL)PHENYLBORONIC ACID, (4-Hydroxy-2-(trifluoromethyl)phenyl)boronic acid, [4-Hydroxy-2-(trifluoromethyl)phenyl]boronic acid, PubChem1730, ACMC-209rrl, SCHEMBL1528987, CTK5H6529, DTXSID00660502, MHKOVSRFDDLIFU-UHFFFAOYSA-N, ANW-40255, CH-064, MFCD03095345, AKOS015893243, ZINC169855786, AB13692, FCH1334783, LS11045, RTX-011009, AS-32773, PC412501, AX8241934, V9425, B-4896, 4-hydroxy-2-(trifluoromethyl)benzeneboronic acid, I04-2970, Boronic acid, B-[4-hydroxy-2-(trifluoromethyl)phenyl]-, C7H6BF3O3, (4-Hydroxy-2-(trifluoromethyl)phenyl)boronicacid, 1029439-76-6, 179113-90-7,

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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number