AG005W27

766498-73-1 | (1S)-1-(4-Chlorophenyl)-2,2,2-trifluoroethylamine

AG005W27

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CAS Number	766498-73-1
Catalog Number	AG005W27(AGN-PC-0WCZWV)
Chemical Name	(1S)-1-(4-Chlorophenyl)-2,2,2-trifluoroethylamine
IUPAC Name	(1S)-1-(4-chlorophenyl)-2,2,2-trifluoroethanamine
InChI	InChI=1S/C8H7ClF3N/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,7H,13H2/t7-/m0/s1
InChI Key	ZGFGADXCVWZZHD-ZETCQYMHSA-N
MDL Number	MFCD07374550
Molecular Formula	C8H7ClF3N
Molecular Weight	209.5961
SMILES	[C@H](N)(C1=CC=C(Cl)C=C1)C(F)(F)F
Synonyms	766498-73-1, (S)-1-(4-Chlorophenyl)-2,2,2-trifluoroethanamine, (S)-1-(4-Chlorophenyl)-2,2,2-trifluoroethylamine, (1S)-1-(4-CHLOROPHENYL)-2,2,2-TRIFLUOROETHYLAMINE, (S)-1-(4-chlorophenyl)-2,2,2-trifluoroethan-1-amine, (1S)-1-(4-Chlorophenyl)-2,2,2-trifluoroethan-1-amine, CTK8B8165, DTXSID90651161, 1942AC, ANW-59515, MFCD07374550, ZINC19433020, AKOS015916959, AKOS015925012, AB39767, ACN-030210, CC-2265, FCH2421967, AJ-73493, AK-50106, AS-40159, AB0079578, AX8212251, TC-148260, ST24035725, X-3173, S01-0763, (S)-2,2,2-TRIFLUORO-1-(4-CHLORO-PHENYL)-ETHYLAMINE, C8H7ClF3N, -1- -2,2,2-TRIFLUOROETHYLAMINE,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	209.022g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	209.596g/mol
Monoisotopic Mass	209.022g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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