AG00D85T

54109-16-9 | 2-(Trifluoromethyl)phenacyl bromide

AG00D85T

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CAS Number	54109-16-9
Catalog Number	AG00D85T(AGN-PC-0KKYVT)
Chemical Name	2-(Trifluoromethyl)phenacyl bromide
IUPAC Name	2-bromo-1-[2-(trifluoromethyl)phenyl]ethanone
InChI	InChI=1S/C9H6BrF3O/c10-5-8(14)6-3-1-2-4-7(6)9(11,12)13/h1-4H,5H2
InChI Key	KWZCBMKXNYOQAK-UHFFFAOYSA-N
MDL Number	MFCD03094304
Molecular Formula	C9H6BrF3O
Molecular Weight	267.0425
SMILES	FC(F)(F)C1=C(C=CC=C1)C(=O)CBr
Synonyms	54109-16-9, 2-(Trifluoromethyl)phenacyl bromide, 2-bromo-1-[2-(trifluoromethyl)phenyl]-1-ethanone, 2-Bromo-2'-(trifluoromethyl)acetophenone, 2-bromo-1-(2-trifluoromethyl-phenyl)-ethanone, 2-bromo-1-[2-(trifluoromethyl)phenyl]ethan-1-one, 2-bromo-1-[2-(trifluoromethyl)phenyl]ethanone, 2-BROMO-1-(2-(TRIFLUOROMETHYL)PHENYL)ETHANONE, MFCD03094304, Ethanone, 2-bromo-1-[2-(trifluoromethyl)phenyl]-, AC1MCT9Y, SCHEMBL168979, 2-trifluoromethyphenacyl bromide, 2-trifluoromethyl phenacylbromide, 2-trifluoromethylphenacyl bromide, CTK4J9635, DTXSID50380925, KWZCBMKXNYOQAK-UHFFFAOYSA-N, ZINC161936, KS-000010NW, 7771AB, ANW-55990, BBL102717, SBB018326, STL556523, AKOS000210500, AS05254, CM11139, MCULE-9117330055, PS-9913, RP29515, 2-(TRIFLUOROMETHYL)PHENACYLBROMIDE, AJ-15835, AK-45459, SC-91541, ZB007735, 2-Bromo-2\'-(trifluoromethyl)acetophenone, AB0003584, TR-055764, 2'-(TRIFLUOROMETHYL)PHENACYL BROMIDE, 2-bromo-1-(2-trifluoromethylphenyl)ethanone, 4CH-002462, alpha-Bromo-2'-(trifluoromethyl)acetophenone, BB 0253843, FT-0611367, EN300-80276, K-9775, 2-bromanyl-1-[2-(trifluoromethyl)phenyl]ethanone, A829962, J-508168, I14-92749, C9H6BrF3O, 2- PHENACYLBROMIDE, ZINC00161936, CID2778430, B4797,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.955g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	267.045g/mol
Monoisotopic Mass	265.955g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

Lot Number