AG000PJD

1197231-94-9 | Ethanone, 1-[4-bromo-2-(trifluoromethyl)phenyl]-

AG000PJD

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CAS Number	1197231-94-9
Catalog Number	AG000PJD(AGN-PC-0ER0BB)
Chemical Name	Ethanone, 1-[4-bromo-2-(trifluoromethyl)phenyl]-
IUPAC Name	1-[4-bromo-2-(trifluoromethyl)phenyl]ethanone
InChI	InChI=1S/C9H6BrF3O/c1-5(14)7-3-2-6(10)4-8(7)9(11,12)13/h2-4H,1H3
InChI Key	FBMIDZPWGMPHMY-UHFFFAOYSA-N
MDL Number	MFCD16839140
Molecular Formula	C9H6BrF3O
Molecular Weight	267.0425
SMILES	CC(C1=CC=C(Br)C=C1C(F)(F)F)=O
Synonyms	1197231-94-9, 1-[4-bromo-2-(trifluoromethyl)phenyl]ethan-1-one, 1-(4-Bromo-2-(trifluoromethyl)phenyl)ethanone, 1-[4-bromo-2-(trifluoromethyl)phenyl]ethanone, SCHEMBL7787369, MFCD16839140, ZINC54270061, AKOS011985917, MCULE-8638310838, NE16118, AS-33004, CS-0060837, Ethanone, 1-[4-bromo-2-(trifluoromethyl)phenyl]-, Z1827898525, 4-Bromo-2-(trifluoromethyl)acetophenone,

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	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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