AG01DDVO

1391426-98-4 | (1S)-1-(3-CHLOROPHENYL)-2,2,2-TRIFLUOROETHYLAMINE HYDROCHLORIDE

AG01DDVO

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CAS Number	1391426-98-4
Catalog Number	AG01DDVO
Chemical Name	(1S)-1-(3-CHLOROPHENYL)-2,2,2-TRIFLUOROETHYLAMINE HYDROCHLORIDE
IUPAC Name	(1S)-1-(3-chlorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
InChI	InChI=1S/C8H7ClF3N.ClH/c9-6-3-1-2-5(4-6)7(13)8(10,11)12;/h1-4,7H,13H2;1H/t7-;/m0./s1
InChI Key	LSFNVRBSWOHDHQ-FJXQXJEOSA-N
MDL Number	MFCD12910553
Molecular Formula	C8H8Cl2F3N
Molecular Weight	246.0570
SMILES	N[C@H](C(F)(F)F)C1=CC=CC(Cl)=C1.[H]Cl
Synonyms	W-3882, (1S)-1-(3-CHLOROPHENYL)-2,2,2-TRIFLUOROETHYLAMINE HYDROCHLORIDE, 1391426-98-4, (1S)-1-(3-CHLOROPHENYL)-2,2,2-TRIFLUOROETHYLAMINE, 1212224-82-2,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	244.999g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	246.054g/mol
Monoisotopic Mass	244.999g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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