AG003IS6

154259-25-3 | 1-(3-Bromo-5-(trifluoromethyl)phenyl)ethanone

AG003IS6

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CAS Number	154259-25-3
Catalog Number	AG003IS6(AGN-PC-03GNE0)
Chemical Name	1-(3-Bromo-5-(trifluoromethyl)phenyl)ethanone
IUPAC Name	1-[3-bromo-5-(trifluoromethyl)phenyl]ethanone
InChI	InChI=1S/C9H6BrF3O/c1-5(14)6-2-7(9(11,12)13)4-8(10)3-6/h2-4H,1H3
InChI Key	BVCLQCAMSFVBFX-UHFFFAOYSA-N
MDL Number	MFCD11847339
Molecular Formula	C9H6BrF3O
Molecular Weight	267.0425
SMILES	CC(C1=CC(C(F)(F)F)=CC(Br)=C1)=O
Synonyms	154259-25-3, 3'-Bromo-5'-(trifluoromethyl)acetophenone, 1-(3-BROMO-5-(TRIFLUOROMETHYL)PHENYL)ETHANONE, 1-[3-bromo-5-(trifluoromethyl)phenyl]ethanone, MFCD11847339, SCHEMBL766077, BVCLQCAMSFVBFX-UHFFFAOYSA-N, 5830AJ, BBL103148, STL556958, ZINC36533647, AKOS022184133, AB64685, FCH1406498, TRA0018446, KS-00000C49, AJ-93228, AK-85830, AS-32076, DA-19031, SC-32915, SY018875, AX8268620, TC-307402, CS-0044519, FT-0761255, K-4872, 1-(3-bromo-5-(trifluoromethyl)-phenyl)ethanone, MFCD11847339 (97+%), 3 inverted exclamation mark -Bromo-5 inverted exclamation mark -(trifluoromethyl)acetophenone, C9H6BrF3O, 156478-71-6,

Complexity	227
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	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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

Lot Number