AG00384X

130336-16-2 | 3',5'-Dichloro-2,2,2-trifluoroacetophenone

AG00384X

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CAS Number	130336-16-2
Catalog Number	AG00384X(AGN-PC-0KKMCS)
Chemical Name	3',5'-Dichloro-2,2,2-trifluoroacetophenone
EC Number	675-511-0
IUPAC Name	1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone
InChI	InChI=1S/C8H3Cl2F3O/c9-5-1-4(2-6(10)3-5)7(14)8(11,12)13/h1-3H
InChI Key	DZDSQRPDUCSOQV-UHFFFAOYSA-N
MDL Number	MFCD01319996
Molecular Formula	C8H3Cl2F3O
Molecular Weight	243.0100
SMILES	ClC=1C=C(C=C(C1)Cl)C(C(F)(F)F)=O
Synonyms	130336-16-2, 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone, 3',5'-Dichloro-2,2,2-trifluoroacetophenone, 1-(3,5-DICHLOROPHENYL)-2,2,2-TRIFLUOROETHAN-1-ONE, 1-(3,5-dichloro-phenyl)-2,2,2-trifluoro-ethanone, 3,5-Dichloro-2',2',2'-trifluoroacetophenone, 1-(3,5-DICHLOROPHENYL)-2,2,2-TRIFLUORO-1-ETHANONE, AC1MBXOU, PubChem17228, Intermediates-ZCF02007, ACMC-209bi6, SCHEMBL44147, CTK4B6651, DTXSID20374230, DZDSQRPDUCSOQV-UHFFFAOYSA-N, BCP06901, KS-00000Q4O, ZINC2378577, ANW-19180, CD-826, AKOS005259344, AB08949, AS05162, CM11186, QC-9262, AC-28649, AJ-34546, AK-96242, DS-18064, SC-52204, AB0097715, RT-008135, CS-0035131, D5113, Z9497, B-7072, 1-(3,5-dichlorophenyl)-2,2,2-trifluro-ethanone, A806068, 1-(3,5-Dichloro-phenyl)-2,2,2-trifluor-ethanone, 1-(3,5-Dichloro-phenyl)-2,2,2-trifluoroethanone, 1-(3,5-dichlorophenyl)-2,2,2-trifluoro-ethanone, I01-7411, J-005796, Ethanone, 1-(3,5-dichlorophenyl)-2,2,2-trifluoro-, alpha,alpha,alpha-Trifluoro-3',5'-dichloroacetophenone, 1-[3,5-bis(chloranyl)phenyl]-2,2,2-tris(fluoranyl)ethanone, C8H3Cl2F3O, ZINC02378577, CID2758231, EC 675-511-0,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.951g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	243.006g/mol
Monoisotopic Mass	241.951g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

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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