AG000O2Y

1256354-96-7 | 2,4-Dichloro-5-(trifluoromethoxy)phenylboronic acid

AG000O2Y

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CAS Number	1256354-96-7
Catalog Number	AG000O2Y(AGN-PC-0WA5OF)
Chemical Name	2,4-Dichloro-5-(trifluoromethoxy)phenylboronic acid
IUPAC Name	[2,4-dichloro-5-(trifluoromethoxy)phenyl]boronic acid
InChI	InChI=1S/C7H4BCl2F3O3/c9-4-2-5(10)6(16-7(11,12)13)1-3(4)8(14)15/h1-2,14-15H
InChI Key	VERJOIRDTSZURH-UHFFFAOYSA-N
MDL Number	MFCD17214246
Molecular Formula	C7H4BCl2F3O3
Molecular Weight	274.8171
SMILES	Clc1cc(Cl)c(cc1OC(F)(F)F)B(O)O
Synonyms	1256354-96-7, 2,4-DICHLORO-5-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID, (2,4-Dichloro-5-(trifluoromethoxy)phenyl)boronic acid, [2,4-dichloro-5-(trifluoromethoxy)phenyl]boronic acid, ACMC-209axr, C7H4BCl2F3O3, CTK4B4570, DTXSID20681698, ANW-18445, MFCD17214246, AKOS015849916, ZINC169934493, AK-85162, PC412350, TR-035228, X1893, B-2971, I04-2460, Boronic acid, B-[2,4-dichloro-5-(trifluoromethoxy)phenyl]-, VERJOIRDTSZURH-UHFFFAOYSA-N,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273.958g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	274.811g/mol
Monoisotopic Mass	273.958g/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	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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