AG000P8D

1195945-67-5 | Boronic acid, B-[5-chloro-2-(trifluoromethyl)phenyl]-

AG000P8D

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CAS Number	1195945-67-5
Catalog Number	AG000P8D(AGN-PC-07XSK5)
Chemical Name	Boronic acid, B-[5-chloro-2-(trifluoromethyl)phenyl]-
IUPAC Name	[5-chloro-2-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C7H5BClF3O2/c9-4-1-2-5(7(10,11)12)6(3-4)8(13)14/h1-3,13-14H
InChI Key	ILPIBSAMAZDGRC-UHFFFAOYSA-N
MDL Number	MFCD08274471
Molecular Formula	C7H5BClF3O2
Molecular Weight	224.3726
SMILES	OB(O)C1=C(C=CC(Cl)=C1)C(F)(F)F
Synonyms	1195945-67-5, 5-Chloro-2-(trifluoromethyl)phenylboronic acid, (5-Chloro-2-(trifluoromethyl)phenyl)boronic acid, [5-chloro-2-(trifluoromethyl)phenyl]boronic acid, CTK6G7406, DTXSID60673890, ILPIBSAMAZDGRC-UHFFFAOYSA-N, ANW-74336, MFCD08274471, AKOS015850379, ZINC169748061, FCH1386584, AK-61501, BC001044, AX8161834, TR-057661, 5-chloro-2-trifluoromethylphenylboronic acid, ST24034836, Y3793, 5-Chloro-2-(trifluoromethyl)phenylboronicacid, 5-Chloro-2-(trifluoromethyl)benzeneboronic acid, Q-8799, Boronic acid, B-[5-chloro-2-(trifluoromethyl)phenyl]-, C7H5BClF3O2, 2-Chloro-3-trifluoromethylphenylboronic acid, 2-CHLORO-3-(TRIFLUOROMETHYL)PHENYLBORONIC ACID, 957061-11-9,

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-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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