AG01FBF8

Name: 4-Methyl-3-trifluoromethyl-benzoic acid ethyl ester
Brand: Angene Chemical
SKU: AG01FBF8

859026-99-6 | 4-Methyl-3-trifluoromethyl-benzoic acid ethyl ester

AG01FBF8

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CAS Number	859026-99-6
Catalog Number	AG01FBF8(AGN-PC-00INGX)
Chemical Name	4-Methyl-3-trifluoromethyl-benzoic acid ethyl ester
IUPAC Name	ethyl 4-methyl-3-(trifluoromethyl)benzoate
InChI	InChI=1S/C11H11F3O2/c1-3-16-10(15)8-5-4-7(2)9(6-8)11(12,13)14/h4-6H,3H2,1-2H3
InChI Key	MQNBCCNMNJHRBP-UHFFFAOYSA-N
MDL Number	MFCD14698278
Molecular Formula	C11H11F3O2
Molecular Weight	232.1990
SMILES	CCOC(=O)c1ccc(c(c1)C(F)(F)F)C
Synonyms	Ethyl 4-methyl-3-(trifluoromethyl)benzoate, 859026-99-6, SCHEMBL374633, MQNBCCNMNJHRBP-UHFFFAOYSA-N, ZINC47202941, Ethyl 4-methyl-3-trifluoromethylbenzoate, 4-Methyl-3-trifluoromethyl-benzoic acid ethyl ester, Benzoic acid, 4-methyl-3-(trifluoromethyl)-, ethyl ester, CID11952920,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.071g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	232.202g/mol
Monoisotopic Mass	232.071g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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