AG005MPW

Name: Benzoic acid, 5-fluoro-2-(trifluoromethyl)-, methyl ester
Brand: Angene Chemical
SKU: AG005MPW

773873-90-8 | Benzoic acid, 5-fluoro-2-(trifluoromethyl)-, methyl ester

AG005MPW

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CAS Number	773873-90-8
Catalog Number	AG005MPW(AGN-PC-07QVCH)
Chemical Name	Benzoic acid, 5-fluoro-2-(trifluoromethyl)-, methyl ester
IUPAC Name	methyl 5-fluoro-2-(trifluoromethyl)benzoate
InChI	InChI=1S/C9H6F4O2/c1-15-8(14)6-4-5(10)2-3-7(6)9(11,12)13/h2-4H,1H3
InChI Key	KGDQMNVZZNCLBF-UHFFFAOYSA-N
MDL Number	MFCD06203755
Molecular Formula	C9H6F4O2
Molecular Weight	222.1364
SMILES	COC(=O)c1cc(ccc1C(F)(F)F)F
Synonyms	methyl 5-fluoro-2-(trifluoromethyl)benzoate, 773873-90-8, Benzoic acid, 5-fluoro-2-(trifluoromethyl)-, methyl ester, SCHEMBL696154, CTK2G6500, DTXSID60673219, KGDQMNVZZNCLBF-UHFFFAOYSA-N, MFCD06203755, ZINC44199561, AKOS030628036, AS-36817, PC501326, FT-0741394, 5-fluoro-2-trifluoromethyl-benzoic acid methyl ester, 5-Fluoro-2-trifluoromethylbenzoic acid methyl ester,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.03g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.139g/mol
Monoisotopic Mass	222.03g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^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