AG00BF42

Name: Methanesulfonic acid 3-(3-trifluoromethylphenyl)propyl ester
Brand: Angene Chemical
SKU: AG00BF42

21172-43-0 | Methanesulfonic acid 3-(3-trifluoromethylphenyl)propyl ester

AG00BF42

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CAS Number	21172-43-0
Catalog Number	AG00BF42(AGN-PC-0QXQE9)
Chemical Name	Methanesulfonic acid 3-(3-trifluoromethylphenyl)propyl ester
IUPAC Name	3-[3-(trifluoromethyl)phenyl]propyl methanesulfonate
InChI	InChI=1S/C11H13F3O3S/c1-18(15,16)17-7-3-5-9-4-2-6-10(8-9)11(12,13)14/h2,4,6,8H,3,5,7H2,1H3
InChI Key	UUMKCYVXQLVAHM-UHFFFAOYSA-N
MDL Number	MFCD27947302
Molecular Formula	C11H13F3O3S
Molecular Weight	282.2793
SMILES	C(CCOS(=O)(=O)C)c1cc(C(F)(F)F)ccc1
Synonyms	21172-43-0, Cinacalcet Impurity 7, Methanesulfonic acid 3-(3-trifluoromethylphenyl)propyl ester, SCHEMBL1579060, Benzenepropanol, 3-(trifluoromethyl)-, 1-methanesulfonate, UUMKCYVXQLVAHM-UHFFFAOYSA-N, CS-M2657, ZINC116572548, CS-13651, methanesulfonic acid 3-(3-trifluoromethyl-phenyl)-propyl ester,

Complexity	346
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	282.054g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	282.277g/mol
Monoisotopic Mass	282.054g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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