AG00D8JC

524674-04-2 | 2-(2-(Trifluoromethyl)phenyl)pyrrolidine, HCl

AG00D8JC

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CAS Number	524674-04-2
Catalog Number	AG00D8JC(AGN-PC-0L0FQD)
Chemical Name	2-(2-(Trifluoromethyl)phenyl)pyrrolidine, HCl
IUPAC Name	2-[2-(trifluoromethyl)phenyl]pyrrolidine
InChI	InChI=1S/C11H12F3N/c12-11(13,14)9-5-2-1-4-8(9)10-6-3-7-15-10/h1-2,4-5,10,15H,3,6-7H2
InChI Key	DRQIUNNVQDIWJF-UHFFFAOYSA-N
MDL Number	MFCD02684094
Molecular Formula	C11H12F3N
Molecular Weight	215.2149
SMILES	FC(C1=C(C2NCCC2)C=CC=C1)(F)F
Synonyms	524674-04-2, 2-(2-(trifluoromethyl)phenyl)pyrrolidine, 2-[2-(trifluoromethyl)phenyl]pyrrolidine, 2-(2-TRIFLUOROMETHYL-PHENYL)-PYRROLIDINE, (R)-2-(2-(Trifluoromethyl)phenyl)pyrrolidine, 2-(2-TRIFLUOROMETHYL-PHENYL)PYRROLIDINE, 1228557-00-3, AC1MXCKW, AC1Q4IMG, AC1Q4IMH, SCHEMBL457401, CTK4J5953, DTXSID40396777, DRQIUNNVQDIWJF-UHFFFAOYSA-N, CT-053, AKOS000153494, AKOS022172000, MCULE-1108467504, AB1006597, DB-005769, FT-0732036, EN300-67665, A26418, B-1516, 2-(2-Trifluoromethyl-Phenyl)-Pyrrolidine Hydrochloride, Z1263811709, null, 2- -pyrrolidine, CID3813474, (S)-2-(2-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE, 1217710-14-9,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.092g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	215.219g/mol
Monoisotopic Mass	215.092g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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