AG00HF3Z

1197237-16-3 | 2-(3-(Trifluoromethyl)phenyl)pyrrolidine hydrochloride

AG00HF3Z

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CAS Number	1197237-16-3
Catalog Number	AG00HF3Z(AGN-PC-0WG38I)
Chemical Name	2-(3-(Trifluoromethyl)phenyl)pyrrolidine hydrochloride
IUPAC Name	2-[3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
InChI	InChI=1S/C11H12F3N.ClH/c12-11(13,14)9-4-1-3-8(7-9)10-5-2-6-15-10;/h1,3-4,7,10,15H,2,5-6H2;1H
InChI Key	OOVCTWAUBWYSDD-UHFFFAOYSA-N
MDL Number	MFCD08456905
Molecular Formula	C11H13ClF3N
Molecular Weight	251.6758
SMILES	FC(C1=CC(C2NCCC2)=CC=C1)(F)F.[H]Cl
Synonyms	1197237-16-3, 2-(3-(trifluoromethyl)phenyl)pyrrolidine hydrochloride, 2-(3-Trifluoromethyl-phenyl)-pyrrolidine hydrochloride, ZX-AV000482, MFCD08456905, AK409900, DS-18684, 2-(3-trifluoromethyl-phenyl)-pyrrolidine,hydrochloride, 2-(3-Trifluoromethyl-phenyl)-pyrrolidinehydrochloride,

Complexity	214
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
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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