AG003KLJ

2396-05-6 | 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethan-1-one

AG003KLJ

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CAS Number	2396-05-6
Catalog Number	AG003KLJ(AGN-PC-0KLRTH)
Chemical Name	1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethan-1-one
IUPAC Name	1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanone
InChI	InChI=1S/C10H10F3NO/c1-14(2)8-5-3-7(4-6-8)9(15)10(11,12)13/h3-6H,1-2H3
InChI Key	NDKSWWUQHXZADC-UHFFFAOYSA-N
MDL Number	MFCD00099468
Molecular Formula	C10H10F3NO
Molecular Weight	217.1877
SMILES	FC(F)(F)C(C1=CC=C(N(C)C)C=C1)=O
Synonyms	2396-05-6, 1-(4-(dimethylamino)phenyl)-2,2,2-trifluoroethanone, 1-(4-dimethylaminophenyl)-2,2,2-trifluoroethanone, 4'-N,N-dimethylamino-2,2,2-trifluoroacetophenone, J-503206, 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethan-1-one, 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanone, CDS1_000723, AC1MCS5M, Maybridge1_005475, AC1Q3W8C, DivK1c_001763, SCHEMBL5949981, CTK4F2640, HMS557A19, DTXSID90385015, NDKSWWUQHXZADC-UHFFFAOYSA-N, ZINC2144274, MFCD00099468, STK449124, AKOS003242528, MCULE-5866436976, RL02761, N,N-Dimethyl-4-(trifluoroacetyl)aniline, AJ-33571, Aniline, N,N-dimethyl-4-trifluoroacetyl-, CC-02240, CJ-32935, AX8091255, FT-0607138, ST50908042, 396D056, 4 '-(Dimethylamino)-2,2,2-trifluoroacetophenone, C-11780, I05-2779, BRD-K86182062-001-01-1, 4'-(Dimethylamino)-2,2,2-trifluoroacetophenone, 97%, Ethanone,1-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-, Ethanone, 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-, 4 inverted exclamation marka-(Dimethylamino)-2,2,2-trifluoroacetophenone, 1- -2,2,2-trifluoroethanone, CID2825048, 4'-(Dimethylamino)-2,2,2-trifluoroacetophenone, Ethanone, 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoro- (9CI),

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.071g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.191g/mol
Monoisotopic Mass	217.071g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

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