AG009BQQ

Name: 3-(2-Pyrrolidinoethoxy)benzotrifluoride
Brand: Angene Chemical
SKU: AG009BQQ

1257665-08-9 | 3-(2-Pyrrolidinoethoxy)benzotrifluoride

AG009BQQ

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CAS Number	1257665-08-9
Catalog Number	AG009BQQ(AGN-PC-0WRA3O)
Chemical Name	3-(2-Pyrrolidinoethoxy)benzotrifluoride
IUPAC Name	1-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
InChI	InChI=1S/C13H16F3NO/c14-13(15,16)11-4-3-5-12(10-11)18-9-8-17-6-1-2-7-17/h3-5,10H,1-2,6-9H2
InChI Key	SIMUFYNZEAJCIK-UHFFFAOYSA-N
MDL Number	MFCD18087721
Molecular Formula	C13H16F3NO
Molecular Weight	259.2674
SMILES	FC(c1cccc(c1)OCCN1CCCC1)(F)F
Synonyms	1257665-08-9, 3-(2-Pyrrolidinoethoxy)benzotrifluoride, 1-(2-(3-(Trifluoromethyl)phenoxy)ethyl)pyrrolidine, 1-{2-[3-(Trifluoromethyl)phenoxy]ethyl}pyrrolidine, DTXSID90682172, MFCD18087721, ZINC65337411, AKOS015888961, AJ-115137, Z8992, B-3718, 1-(2-(3-Trifluoromethylphenoxy)ethyl)pyrrolidine, I01-16239, C13H16F3NO, 1-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.118g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	259.272g/mol
Monoisotopic Mass	259.118g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	12.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited