AG000W2W

131395-29-4 | 2-Bromo-4-(trifluoromethoxy)acetanilide

AG000W2W

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CAS Number	131395-29-4
Catalog Number	AG000W2W(AGN-PC-0KKAQY)
Chemical Name	2-Bromo-4-(trifluoromethoxy)acetanilide
IUPAC Name	N-[2-bromo-4-(trifluoromethoxy)phenyl]acetamide
InChI	InChI=1S/C9H7BrF3NO2/c1-5(15)14-8-3-2-6(4-7(8)10)16-9(11,12)13/h2-4H,1H3,(H,14,15)
InChI Key	ZTFDDTDGNZYFAA-UHFFFAOYSA-N
MDL Number	MFCD00126677
Molecular Formula	C9H7BrF3NO2
Molecular Weight	298.0566
SMILES	CC(NC1=CC=C(OC(F)(F)F)C=C1Br)=O
Synonyms	131395-29-4, 2'-Bromo-4'-(trifluoromethoxy)acetanilide, 2-Bromo-4-(trifluoromethoxy)acetanilide, N-[2-bromo-4-(trifluoromethoxy)phenyl]acetamide, Acetamide,N-[2-bromo-4-(trifluoromethoxy)phenyl]-, N-(2-Bromo-4-(trifluoromethoxy)phenyl)acetamide, AC1MCCA8, C9H4BrF3NO2, ACMC-20mu31, SCHEMBL9475099, CTK4B7256, DTXSID90372384, ZINC109885, MFCD00126677, MCULE-2538750932, Z9570, Acetamide, N-[2-bromo-4-(trifluoromethoxy)phenyl]-, 4-Acetamido-3-bromo-alpha,alpha,alpha-trifluoroanisole, ZINC00109885, CID2740616,

Complexity	260
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	296.961g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	298.059g/mol
Monoisotopic Mass	296.961g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	38.3A^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-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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