AG003DT4

817170-70-0 | 1-(2-Fluoro-4-trifluoroMethyl-phenyl)-piperazine

AG003DT4

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CAS Number	817170-70-0
Catalog Number	AG003DT4(AGN-PC-07YLOL)
Chemical Name	1-(2-Fluoro-4-trifluoroMethyl-phenyl)-piperazine
IUPAC Name	1-[2-fluoro-4-(trifluoromethyl)phenyl]piperazine
InChI	InChI=1S/C11H12F4N2/c12-9-7-8(11(13,14)15)1-2-10(9)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2
InChI Key	FJDNYOZEHRTOLO-UHFFFAOYSA-N
MDL Number	MFCD11872764
Molecular Formula	C11H12F4N2
Molecular Weight	248.2200
SMILES	FC(C1=CC=C(N2CCNCC2)C(F)=C1)(F)F
Synonyms	817170-70-0, 1-(2-Fluoro-4-(trifluoromethyl)phenyl)piperazine, 1-[2-Fluoro-4-(trifluoromethyl)phenyl]piperazine, Piperazine, 1-[2-fluoro-4-(trifluoromethyl)phenyl]-, SCHEMBL1470389, KS-00000DNM, FJDNYOZEHRTOLO-UHFFFAOYSA-N, C11H12F4N2, 4902AJ, MFCD11872764, ZINC95932386, AKOS022182178, TRA0081072, DS-16840, SY033961, AJ-137542, FT-0705504, ST24037098, MFCD11872764 (95%), 1-(2-fluoro-4-trifluoromethylphenyl)piperazine, 1-(2-Fluoro4-trifluoromethyl-phenyl)-piperazine, 1-(2-Fluoro-4-trifluoromethyl-phenyl)-piperazine,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.094g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	248.225g/mol
Monoisotopic Mass	248.094g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	15.3A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number