AG01DD2Q

1197232-77-1 | 2-[4-(TRIFLUOROMETHYL)PHENYL]PYRROLIDINE

AG01DD2Q

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CAS Number	1197232-77-1
Catalog Number	AG01DD2Q(AGN-PC-07B67C)
Chemical Name	2-[4-(TRIFLUOROMETHYL)PHENYL]PYRROLIDINE
IUPAC Name	2-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
InChI	InChI=1S/C11H12F3N.ClH/c12-11(13,14)9-5-3-8(4-6-9)10-2-1-7-15-10;/h3-6,10,15H,1-2,7H2;1H
InChI Key	XHVVDNXOJJAMDE-UHFFFAOYSA-N
MDL Number	MFCD08456906
Molecular Formula	C11H13ClF3N
Molecular Weight	251.6758
SMILES	FC(C1=CC=C(C2NCCC2)C=C1)(F)F.[H]Cl
Synonyms	1197232-77-1, 2-(4-(Trifluoromethyl)phenyl)pyrrolidine hydrochloride, 2-(4-Trifluoromethyl-phenyl)-pyrrolidine, AK172669, SCHEMBL17437016, ZX-AV000554, MFCD08456906, 2-[4-(trifluoromethyl)phenyl]-pyrrolidine, 2-(4-(Trifluoromethyl)phenyl)pyrrolidine HCl, 2-(4-Trifluoromethyl-phenyl)-pyrrolidine hydrochloride, 2-[4-(trifluoromethyl)phenyl]pyrrolidinehydrochloride, 2-(4-trifluoromethylphenyl)pyrrolidine, 2-(4-Trifluoromethylphenyl)-pyrrolidine, 2-[4-(trifluoromethyl)phenyl]pyrrolidine, (r)-2-(4-(trifluoromethyl)phenyl)pyrrolidine hydrochloride, 1391407-62-7,

Complexity	206
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.069g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	251.677g/mol
Monoisotopic Mass	251.069g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	1
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

Lot Number