AG000ZRE

131805-94-2 | Ethanone, 1-[3,5-bis(trifluoromethyl)phenyl]-2-bromo-

AG000ZRE

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CAS Number	131805-94-2
Catalog Number	AG000ZRE(AGN-PC-0KK7ML)
Chemical Name	Ethanone, 1-[3,5-bis(trifluoromethyl)phenyl]-2-bromo-
IUPAC Name	1-[3,5-bis(trifluoromethyl)phenyl]-2-bromoethanone
InChI	InChI=1S/C10H5BrF6O/c11-4-8(18)5-1-6(9(12,13)14)3-7(2-5)10(15,16)17/h1-3H,4H2
InChI Key	ZEKBFXJTIAEUOF-UHFFFAOYSA-N
MDL Number	MFCD00792434
Molecular Formula	C10H5BrF6O
Molecular Weight	335.0405
SMILES	FC(F)(F)C1=CC(=CC(=C1)C(=O)CBr)C(F)(F)F
Synonyms	131805-94-2, 1-(3,5-Bis(trifluoromethyl)phenyl)-2-bromoethanone, 3',5'-Bis(trifluoromethyl)-2-bromoacetophenone, 1-[3,5-Bis(Trifluoromethyl)Phenyl]-2-Bromoethan-1-One, 1-[3,5-bis(trifluoromethyl)phenyl]-2-bromoethanone, 3,5-bis(trifluoromethyl)phenacyl bromide, 3,5-bistrifluoromethyl-phenacyl bromide, Ethanone,1-[3,5-bis(trifluoromethyl)phenyl]-2-bromo-, a-Bromo-3',5'-bis(trifluoromethyl)acetophenone, MFCD00792434, 3,5-bis(trifluoromethyl)phenacylbromide, Ethanone, 1-[3,5-bis(trifluoromethyl)phenyl]-2-bromo-, 2-bromo-1-[3,5-bis(trifluoromethyl)phenyl]ethanone, 2-bromo-1-[3,5-di(trifluoromethyl)phenyl]ethan-1-one, AC1MC4ZI, AC1Q4IRD, Intermediates-ZCF02011, C10H5BrF6O, ACMC-1C44U, SCHEMBL630414, 1-(3,5-Bis-trifluoromethyl-phenyl)-2-bromo-ethanone, CTK4B7531, DTXSID70371178, BUTTPARK 41\03-56, ZEKBFXJTIAEUOF-UHFFFAOYSA-N, ZINC2569266, 5894AA, ANW-74384, SBB051671, AKOS006032494, AS05095, CM11133, MCULE-1918585489, PS-9865, RTR-004373, VZ25263, AJ-41696, TR-004373, FT-0611373, ST50953399, 3,5-bis(trifluoromethyl)-2-bromoacetophenone, 3,5-Bis(trifluoromethyl)phenacyl bromide 97%, C-5191, A806314, 1-(3,5-Bis-trifluoromethyl-phenyl)-2-bromoethanone, I14-29441, 1-[3,5-bis(trifluoromethyl)phenyl]-2-bromanyl-ethanone, 1-[3,5-bis(trifluoromethyl)phenyl]-2-bromoethane-1-one, 1-[3,5-Bis(trifluoromethyl)phenyl]-2-bromoethanone, AldrichCPR, ZINC02569266, CID2736170, 3',5'-BIS -2-BROMOACETOPHENONE,

Complexity	289
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	333.943g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	335.043g/mol
Monoisotopic Mass	333.943g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2811

Certificate of Analysis

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