AG000UPK

13061-28-4 | Ethanone, 1-(2,4,5-trichlorophenyl)-

AG000UPK

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CAS Number	13061-28-4
Catalog Number	AG000UPK(AGN-PC-0JLUAZ)
Chemical Name	Ethanone, 1-(2,4,5-trichlorophenyl)-
EC Number	235-954-9
IUPAC Name	1-(2,4,5-trichlorophenyl)ethanone
InChI	InChI=1S/C8H5Cl3O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3
InChI Key	OPPQOJRXXODMKR-UHFFFAOYSA-N
MDL Number	MFCD09261422
Molecular Formula	C8H5Cl3O
Molecular Weight	223.4837
SMILES	CC(C1=CC(Cl)=C(Cl)C=C1Cl)=O
UNII	O9M4U4I96I
Synonyms	1-(2,4,5-trichlorophenyl)ethanone, 13061-28-4, 1-(2,4,5-Trichlorophenyl)ethan-1-one, 2,4,5-Trichloroacetophenone, UNII-O9M4U4I96I, Ethanone, 1-(2,4,5-trichlorophenyl)-, O9M4U4I96I, AK155537, EINECS 235-954-9, AC1Q3LJY, AC1L34P2, DTXSID2041335, SCHEMBL10575131, CTK4B6835, KS-00000SDS, 2',4',5'-Trichloroacetophenone, OPPQOJRXXODMKR-UHFFFAOYSA-N, ZINC5438668, MFCD09261422, STK288940, AKOS022946798, DS-8639, FCH2514013, Ethanone,1-(2,4,5-trichlorophenyl)-, AJ-54100, AX8290030, CS-0060845, C8-H5-Cl3-O, KST-1B0180, CID83096, AR-1B0094, ACN-048670, 1315-01-1,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.941g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	223.477g/mol
Monoisotopic Mass	221.941g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number