AG00250R

176976-42-4 | Boronic acid, B-[4-chloro-3-(trifluoromethyl)phenyl]-

AG00250R

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CAS Number	176976-42-4
Catalog Number	AG00250R(AGN-PC-0KL1TC)
Chemical Name	Boronic acid, B-[4-chloro-3-(trifluoromethyl)phenyl]-
IUPAC Name	[4-chloro-3-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C7H5BClF3O2/c9-6-2-1-4(8(13)14)3-5(6)7(10,11)12/h1-3,13-14H
InChI Key	XHKNQBNGLMOTDB-UHFFFAOYSA-N
MDL Number	MFCD03094999
Molecular Formula	C7H5BClF3O2
Molecular Weight	224.3726
SMILES	OB(C1=CC=C(Cl)C(C(F)(F)F)=C1)O
Synonyms	176976-42-4, 4-Chloro-3-(trifluoromethyl)phenylboronic acid, 4-chloro-3-(trifluoromethyl)benzeneboronic acid, 4-Chloro-3-trifluoromethylphenylboronic acid, [4-chloro-3-(trifluoromethyl)phenyl]boronic Acid, MFCD03094999, 4-Chloro-3-(trifluoromethyl)phenylboronicacid, 4-chloro-3-trifluoromethylphenyl boronic acid, (4-chloro-3-(trifluoromethyl)phenyl)boronic acid, Boronic acid, [4-chloro-3-(trifluoromethyl)phenyl]-, PubChem1796, AC1MD2TM, ACMC-1CG57, KSC174K0N, SCHEMBL177582, CTK0H4506, KS-00000AQS, DTXSID50382202, XHKNQBNGLMOTDB-UHFFFAOYSA-N, ACN-S004005, ACT10988, ANW-22856, BBL100426, CC-072, SBB096691, STL554220, AKOS004116113, ZINC169747052, AB13414, C2297G1, GS-6231, LS11034, MCULE-3933917486, RP08969, RTR-008073, TRA0127501, VB10681, AK-33754, AM803361, AN-30632, BP-11439, BR-33754, SC-54304, SY015044, AB0005477, AB1004756, DB-016059, ST2405714, TL8001408, TR-008073, 4-chloro-5-trifluoromethylphenylboronic acid, 4CH-001233, CS-0007618, FT-0643711, 4-chloro-3-trifluoromethyl-phenylboronic acid, [4-chloro-3-(trifluoromethyl)phenyl]boranediol, 4-chloro-3-(trifluorometyhl)phenylboronic acid, B-3201, 4-chloro-3-(trifluoromethyl)phenyl boronic acid, MFCD03094999 (97+%), 976C424, I01-3306, J-514990, Boronic acid, B-[4-chloro-3-(trifluoromethyl)phenyl]-, 4-Chloro-3-(trifluoromethyl)phenylboronic acid, AldrichCPR, C7H5BClF3O2, ACN-032812, CID2782671, A3929, C2571, 4-Chloro-3-(trifluoromethyl)phenylboronic acid, 98% - 1G 1g,

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

Lot Number