AG005YVO

957061-11-9 | 2-Chloro-3-(trifluoromethyl)phenylboronic acid

AG005YVO

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CAS Number	957061-11-9
Catalog Number	AG005YVO(AGN-PC-078TDB)
Chemical Name	2-Chloro-3-(trifluoromethyl)phenylboronic acid
IUPAC Name	[2-chloro-3-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C7H5BClF3O2/c9-6-4(7(10,11)12)2-1-3-5(6)8(13)14/h1-3,13-14H
InChI Key	NEHJDQKHVZYUAA-UHFFFAOYSA-N
MDL Number	MFCD09258745
Molecular Formula	C7H5BClF3O2
Molecular Weight	224.3726
SMILES	OB(O)C1=C(Cl)C(=CC=C1)C(F)(F)F
Synonyms	2-CHLORO-3-(TRIFLUOROMETHYL)PHENYLBORONIC ACID, 957061-11-9, 2-Chloro-3-trifluoromethylphenylboronic acid, 2-chloro-3-(trifluoromethyl)benzeneboronic acid, [2-chloro-3-(trifluoromethyl)phenyl]boronic acid, AK-40470, 2-Chloro-3-(trifluoromethyl)phenylboronicacid, (2-chloro-3-(trifluoromethyl)phenyl)boronic acid, ACMC-209s1o, [2-Chloro-3-trifluoromethylphenyl]boronic acid, SCHEMBL10261, CTK5H8016, KS-00000NAT, DTXSID50659365, NEHJDQKHVZYUAA-UHFFFAOYSA-N, ZX-AP009102, ANW-40618, CC-948, MFCD09258745, PC7131, SBB071192, AKOS015850155, ZINC169747911, CS-W020404, FCH1323707, RL06033, RTR-029910, VB10151, BC001275, DS-13568, AB0029329, AX8008018, DB-010366, TR-029910, FT-0659958, ST24040286, X1471, 2-Chloro-3-(trifluoromethyl)benzeneboronic aci, B-5660, 061C119, A845397, [2-chloranyl-3-(trifluoromethyl)phenyl]boronic acid, I04-0670, Boronic acid,B-[2-chloro-3-(trifluoromethyl)phenyl]-, 2-Chloro-3-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride), C7H5BClF3O2, ACN-034275, C3213,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.002g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	224.37g/mol
Monoisotopic Mass	224.002g/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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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