AG005DGK

73471-97-3 | 1-(4-(tert-Butyl)phenyl)-2,2,2-trifluoroethanone

AG005DGK

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CAS Number	73471-97-3
Catalog Number	AG005DGK(AGN-PC-0KKLPA)
Chemical Name	1-(4-(tert-Butyl)phenyl)-2,2,2-trifluoroethanone
IUPAC Name	1-(4-tert-butylphenyl)-2,2,2-trifluoroethanone
InChI	InChI=1S/C12H13F3O/c1-11(2,3)9-6-4-8(5-7-9)10(16)12(13,14)15/h4-7H,1-3H3
InChI Key	JGHXRQPPRZMKDB-UHFFFAOYSA-N
MDL Number	MFCD01319979
Molecular Formula	C12H13F3O
Molecular Weight	230.2262
SMILES	CC(C)(C)C1=CC=C(C=C1)C(=O)C(F)(F)F
Synonyms	73471-97-3, 4'-tert-Butyl-2,2,2-trifluoroacetophenone, 1-(4-(tert-butyl)phenyl)-2,2,2-trifluoroethanone, 1-(4-tert-butylphenyl)-2,2,2-trifluoroethanone, 4'-t-butyl-2,2,2-trifluoroacetophenone, 1-(4-tert-butylphenyl)-2,2,2-trifluoroethan-1-one, 1-[4-(tert-butyl)phenyl]-2,2,2-trifluoroethan-1-one, Ethanone,1-[4-(1,1-dimethylethyl)phenyl]-2,2,2-trifluoro-, AC1MBVNQ, SCHEMBL9560214, CTK5D8058, DTXSID40373846, KS-00003R4U, ZINC2378554, ZX-AP001829, 8977AE, PC2501, SBB097585, AKOS005259362, AB08905, MCULE-4515573055, PS-7722, VZ27415, CC-20408, DB-008427, FT-0641462, ST51042119, 4'-(tert-Butyl)-2,2,2-trifluoroacetophenone, A837839, C-13337, 1-(4-tert-butyl-phenyl)-2,2,2-trifluoro-ethanone, 4'-tert-Butyl-alpha,alpha,alpha-trifluoroacetophenone, 1-(4-tert-butylphenyl)-2,2,2-tris(fluoranyl)ethanone, C12H13F3O, ZINC02378554, CID2757348,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.092g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.23g/mol
Monoisotopic Mass	230.092g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

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

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