AG00337O

254993-59-4 | 2-Chloro-4-(trifluoromethyl)benzeneboronic acid

AG00337O

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CAS Number	254993-59-4
Catalog Number	AG00337O(AGN-PC-0KL27Y)
Chemical Name	2-Chloro-4-(trifluoromethyl)benzeneboronic acid
IUPAC Name	[2-chloro-4-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C7H5BClF3O2/c9-6-3-4(7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H
InChI Key	JKSUCAFAUNSPLO-UHFFFAOYSA-N
MDL Number	MFCD02684337
Molecular Formula	C7H5BClF3O2
Molecular Weight	224.3726
SMILES	OB(C1=C(C=C(C=C1)C(F)(F)F)Cl)O
Synonyms	254993-59-4, 2-Chloro-4-(trifluoromethyl)phenylboronic acid, 2-Chloro-4-trifluoromethylphenylboronic acid, 2-Chloro-4-(trifluoromethyl)benzeneboronic acid, (2-chloro-4-(trifluoromethyl)phenyl)boronic acid, [2-chloro-4-(trifluoromethyl)phenyl]boronic Acid, 2-Chloro-4-trifluoromethyl phenyl boronic acid, MFCD02684337, 2-Chloro-4-(trifluoromethyl)phenylboronicacid, 2-chloro-4-trifluoromethylphenyl boronic acid, Boronic acid, [2-chloro-4-(trifluoromethyl)phenyl]-, 2-fluoro-4-iodophenylboronicacid, PubChem1795, ACMC-209gkh, AC1MD43T, KSC489M2D, SCHEMBL837696, CTK3I9621, DTXSID60382536, JKSUCAFAUNSPLO-UHFFFAOYSA-N, ACN-S003996, ACT07692, ANW-25743, SBB096690, VT1186, AKOS004119244, ZINC169746898, AB12628, AC-5385, AS04408, CS-W020413, DS-0853, LS10972, MCULE-9317940981, QC-3722, RP08970, RTC-068607, TRA0042338, VB10545, NCGC00249539-01, AK-34378, AN-29315, BC000289, BR-34378, SC-01955, SC-76017, SY014635, AB0005935, AB1004727, DB-015945, ST2416701, TC-068607, TL8002070, 4CH-014097, A4840, A5139, AM20050332, FT-0644134, 2-chloro-4-trifluoromethyl-phenylboronic acid, KS-00000184, 2-Chloro-4(trifluoromethyl)benzeneboronic acid, 2-chloro-4-trifluoromethyl-phenyl boronic acid, C-1425, 2-Chloro-4-(trifluoromethyl) benzeneboronic acid, 2-chloro-4-(trifluoromethyl)benzene boronic acid, 2-chloro-4-(trifluoromethyl)phenyl boronic acid, MFCD02684337 (97+%), 993C594, I01-0959, J-508628, J-508705, J-514915, 2-Chloro-4-(trifluoromethyl)phenylboronic acid, AldrichCPR, C7H5BClF3O2, cc-256, 2,3,4-Trifluorophenylboronicacid, 2-Fluoro-4-iodophenylboronic acid, 2,3,4-Trifluorophenylboronic acid, MFCD04973086, ACN-032787, CID2783251, 2,2,6,6-tetramethylpiperidinyl-1-oxide, 313545-41-4, 2-Chloro-4-trifluoromethylphenylboronicacid, 4-Chloro-2-trifluoromethylphenylboronic acid, 4-Chloro-2-(trifluoromethyl)phenylboronic acid, 2-CHLORO-3-(TRIFLUOROMETHYL)PHENYLBORONIC ACID, 226396-32-3, 2-Chloro-4-(trifluoromethyl)benzeneboronic acid, 96% 1g, 2-Chloro-4-(trifluoromethylphenyl)boronic 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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number