AG00C0Z4

345226-20-2 | 2-CHLORO-4-TRIFLUOROMETHOXYBENZENEBORONIC ACID

AG00C0Z4

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CAS Number	345226-20-2
Catalog Number	AG00C0Z4(AGN-PC-03JOO1)
Chemical Name	2-CHLORO-4-TRIFLUOROMETHOXYBENZENEBORONIC ACID
IUPAC Name	[2-chloro-4-(trifluoromethoxy)phenyl]boronic acid
InChI	InChI=1S/C7H5BClF3O3/c9-6-3-4(15-7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H
InChI Key	ISTQXKDCRJYPFJ-UHFFFAOYSA-N
MDL Number	MFCD11040272
Molecular Formula	C7H5BClF3O3
Molecular Weight	240.3720
SMILES	OB(O)C1=C(Cl)C=C(OC(F)(F)F)C=C1
Synonyms	345226-20-2, (2-Chloro-4-(trifluoromethoxy)phenyl)boronic acid, 2-CHLORO-4-TRIFLUOROMETHOXYPHENYLBORONIC ACID, 2-Chloro-4-(trifluoromethoxy)phenylboronic acid, Boronic acid, [2-chloro-4-(trifluoromethoxy)phenyl]-, [2-Chloro-4-(trifluoromethoxy)phenyl]boronic acid, 2-chloro-4-trifluoromethoxybenzeneboronic acid, ACMC-209i82, SCHEMBL6077610, CTK4H2526, DTXSID70622051, ANW-27888, MFCD11040272, AKOS005166804, ZINC169933757, AK-85411, PC412323, AX8236254, TR-036554, CS-0087890, FT-0698294, X0727, B-8132, 2-Chloro-4-(trifluoromethoxy)benzeneboronic acid, I04-2526, C7H5BClF3O3, ACN-034278,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.997g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	240.369g/mol
Monoisotopic Mass	239.997g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number