AG000G83

Name: Benzoic acid, 4-chloro-3-(trifluoromethyl)-, methyl ester
Brand: Angene Chemical
SKU: AG000G83

115591-64-5 | Benzoic acid, 4-chloro-3-(trifluoromethyl)-, methyl ester

AG000G83

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CAS Number	115591-64-5
Catalog Number	AG000G83(AGN-PC-000M5E)
Chemical Name	Benzoic acid, 4-chloro-3-(trifluoromethyl)-, methyl ester
IUPAC Name	methyl 4-chloro-3-(trifluoromethyl)benzoate
InChI	InChI=1S/C9H6ClF3O2/c1-15-8(14)5-2-3-7(10)6(4-5)9(11,12)13/h2-4H,1H3
InChI Key	GDGXIYBUDUJCEV-UHFFFAOYSA-N
MDL Number	MFCD06203691
Molecular Formula	C9H6ClF3O2
Molecular Weight	238.5909
SMILES	COC(=O)c1ccc(c(c1)C(F)(F)F)Cl
Synonyms	METHYL 4-CHLORO-3-(TRIFLUOROMETHYL)BENZOATE, 115591-64-5, Benzoic acid, 4-chloro-3-(trifluoromethyl)-, methyl ester, 4-Chloro-3-trifluoromethylbenzoic acid methyl ester, SCHEMBL197395, CTK4A9391, DTXSID10556629, GDGXIYBUDUJCEV-UHFFFAOYSA-N, MFCD06203691, ZINC34236828, AKOS025310237, FT-0737019, 4-chloro-3-trifluoromethyl-benzoic acid methyl ester,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.001g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	238.59g/mol
Monoisotopic Mass	238.001g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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