AG00GS6J

928053-97-8 | 5-Fluoro-2-trifluoromethyl-phenylboronic acid

AG00GS6J

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CAS Number	928053-97-8
Catalog Number	AG00GS6J(AGN-PC-04TKR9)
Chemical Name	5-Fluoro-2-trifluoromethyl-phenylboronic acid
IUPAC Name	[5-fluoro-2-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C7H5BF4O2/c9-4-1-2-5(7(10,11)12)6(3-4)8(13)14/h1-3,13-14H
InChI Key	LBDUHXAQWUKBEB-UHFFFAOYSA-N
MDL Number	MFCD06656275
Molecular Formula	C7H5BF4O2
Molecular Weight	207.9180
SMILES	OB(O)C1=C(C=CC(F)=C1)C(F)(F)F
Synonyms	5-Fluoro-2-(trifluoromethyl)phenylboronic acid, 928053-97-8, 5-Fluoro-2-trifluoromethylphenylboronic acid, [5-fluoro-2-(trifluoromethyl)phenyl]boronic acid, 5-Fluoro-2-trifluoromethyl-phenylboronic acid, 2-Borono-4-fluorobenzotrifluoride, AK-40460, 5-Fluoro-2-(trifluoromethyl)benzeneboronic acid, (5-fluoro-2-(trifluoromethyl)phenyl)boronic acid, ACMC-209rhr, 5-Fluoro-2-(trifluoromethyl)phenylboronicacid, SCHEMBL2519858, CTK3I5605, KS-00000NGH, DTXSID90647887, LBDUHXAQWUKBEB-UHFFFAOYSA-N, ZX-AP001194, ANW-39901, CF-604, MFCD06656275, PC3019, SBB093947, AKOS015853272, ZINC169747907, AB25512, CS-W001003, FCH1326842, LS11055, RTR-029069, AM804559, AN-26343, AS-18760, BC000881, AX8008401, DB-079415, TR-029069, FT-0678868, ST24044727, X1462, C-1673, 053F978, I04-5320, 5-Fluoro-2-(trifluoromethyl)phenylboronic acid, AldrichCPR, BORONIC ACID, B-[5-FLUORO-2-(TRIFLUOROMETHYL)PHENYL]-, C7H5BF4O2, ACN-032825, 2-Isopropyl-pyrimidine-5-carboxylic acid, 927803-31-4,

Complexity	197
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.032g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	207.919g/mol
Monoisotopic Mass	208.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.5A^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