AG0039KD

847756-88-1 | 3-Chloro-4-trifluoromethylphenylboronic acid

AG0039KD

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CAS Number	847756-88-1
Catalog Number	AG0039KD(AGN-PC-0KZUUP)
Chemical Name	3-Chloro-4-trifluoromethylphenylboronic acid
IUPAC Name	[3-chloro-4-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C7H5BClF3O2/c9-6-3-4(8(13)14)1-2-5(6)7(10,11)12/h1-3,13-14H
InChI Key	OCHKTAGGJMWISO-UHFFFAOYSA-N
MDL Number	MFCD03788417
Molecular Formula	C7H5BClF3O2
Molecular Weight	224.3726
SMILES	ClC=1C=C(C=CC1C(F)(F)F)B(O)O
Synonyms	3-Chloro-4-(trifluoromethyl)phenylboronic acid, 847756-88-1, 3-Chloro-4-trifluoromethylphenylboronic acid, [3-chloro-4-(trifluoromethyl)phenyl]boronic Acid, 3-Chloro-4-(trifluoromethyl)benzeneboronic acid, MFCD03788417, AK-36538, Boronic acid, [3-chloro-4-(trifluoromethyl)phenyl]-, (3-chloro-4-(trifluoromethyl)phenyl)boronic acid, 3-chloro-4-(trifluoromethyl)benzeneboronic acid 97%, PubChem23707, ACMC-209pwg, AC1MXXI7, KSC882K9H, SCHEMBL177526, CTK7I2593, DTXSID60396219, 4-Borono-2-chlorobenzotrifluoride, OCHKTAGGJMWISO-UHFFFAOYSA-N, KS-00000L8B, ZX-AP002744, ANW-37838, PC1675, SBB071110, AKOS015848900, ZINC169745129, AB15990, C2296G1, FCH1323700, PS-9509, QC-4858, RTR-026196, VB10617, AC-24807, SY025296, AB0064598, AX8004275, DB-010560, TR-026196, 4CH-003067, FT-0644904, ST24042030, 3-Chloro-4-(trifluoromethyl)phenylboronicacid, 3-chloro-4-trifluoromethyl-phenylboronic acid, 3-chloro-4-trifluoromethylphenyl boronic acid, MFCD03788417 (95%), 3-chloro-4-trifluoromethyl-phenyl boronic acid, B-5574, 3-chloro-4-(trifluoromethyl) phenylboronic acid, 3-chloro-4-(trifluoromethyl)phenyl boronic acid, A840916, C-12689, [3-chloranyl-4-(trifluoromethyl)phenyl]boronic acid, I01-7123, Boronic acid,B-[3-chloro-4-(trifluoromethyl)phenyl]-, 3-Chloro-4-(trifluoromethyl)phenylboronic acid, AldrichCPR, cc-655, 3-CHLORO-4- PHENYLBORONICACID, ACN-042939, CID3772958,

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

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