AG0090FC

1072951-56-4 | 5-BROMO-2-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID

AG0090FC

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CAS Number	1072951-56-4
Catalog Number	AG0090FC(AGN-PC-0WAB5R)
Chemical Name	5-BROMO-2-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID
IUPAC Name	[5-bromo-2-(trifluoromethoxy)phenyl]boronic acid
InChI	InChI=1S/C7H5BBrF3O3/c9-4-1-2-6(15-7(10,11)12)5(3-4)8(13)14/h1-3,13-14H
InChI Key	GLPYFDWQKJBUGP-UHFFFAOYSA-N
MDL Number	MFCD11504857
Molecular Formula	C7H5BBrF3O3
Molecular Weight	284.8230
SMILES	FC(F)(F)OC1=CC=C(Br)C=C1B(O)O
Synonyms	1072951-56-4, 5-BROMO-2-TRIFLUOROMETHOXYPHENYLBORONIC ACID, (5-Bromo-2-(trifluoromethoxy)phenyl)boronic acid, 5-Bromo-2-(trifluoromethoxy)phenylboronic acid, [5-bromo-2-(trifluoromethoxy)phenyl]boronic acid, 5-BROMO-2-(TRIFLUOROMETHOXY)BENZENEBORONIC ACID, ACMC-2098t3, CTK4A5290, DTXSID50673889, ZX-AP002782, ANW-15685, MFCD11504857, AKOS015834777, ZINC169748111, PC49296, PS-9734, RTR-001619, BC001123, AX8197160, TR-001619, CS-0038981, ST24034799, Y3623, A-4608, I04-1771, C7H5BBrF3O3,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	283.947g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	284.823g/mol
Monoisotopic Mass	283.947g/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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number