AG001671

121872-94-4 | Ethanone, 1-(2-chloro-4,5-difluorophenyl)-

AG001671

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CAS Number	121872-94-4
Catalog Number	AG001671(AGN-PC-0KK7V2)
Chemical Name	Ethanone, 1-(2-chloro-4,5-difluorophenyl)-
IUPAC Name	1-(2-chloro-4,5-difluorophenyl)ethanone
InChI	InChI=1S/C8H5ClF2O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3
InChI Key	BNODNMUCMFITCS-UHFFFAOYSA-N
MDL Number	MFCD00671761
Molecular Formula	C8H5ClF2O
Molecular Weight	190.5745
SMILES	CC(C1=CC(F)=C(F)C=C1Cl)=O
Synonyms	121872-94-4, 2'-Chloro-4',5'-difluoroacetophenone, 1-(2-chloro-4,5-difluorophenyl)ethanone, 2-chloro-4,5-difluoroacetophenone, Ethanone, 1-(2-chloro-4,5-difluorophenyl)-, MFCD00671761, 1-(2-chloro-4,5-difluoro-phenyl)ethanone, Ethanone,1-(2-chloro-4,5-difluorophenyl)-, 2 -CHLORO-4 ,5 -DIFLUOROACETOPHENONE, 1-acetyl-2-chloro-4,5-difluorobenzene, ACMC-20dywg, PubChem4109, PubChem23586, AC1MC5P9, SCHEMBL3621616, CTK4B2820, KS-00000YZT, DTXSID10371399, BNODNMUCMFITCS-UHFFFAOYSA-N, ZINC2567359, SBB091189, AKOS006230385, FS-3966, MCULE-8500452705, RTR-003541, VZ21841, AJ-41407, AN-32884, AB0031461, DB-041634, TL8000583, FT-0642973, ST51042103, X4554, 1-(2-chloro-4,5-difluorophenyl)ethan-1-one, C-5190, 1-[2-chloranyl-4,5-bis(fluoranyl)phenyl]ethanone, A804798, I14-28257, C8H5ClF2O, 2-chloro-4,5-difluorophenylacetone, ZINC02567359, ACN-055814, CID2736489, 2-chloro-4,5-difluorophenylacetophenone, 2/'-Chloro-4/',5/'-difluoroacetophenone,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.574g/mol
Monoisotopic Mass	190g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P322-P330-P332+P313-P337+P313-P340-P362-P363-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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