AG00C8VG

331-33-9 | Ethyl 2-(3-(Trifluoromethyl)Phenyl)Acetate

AG00C8VG

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CAS Number	331-33-9
Catalog Number	AG00C8VG(AGN-PC-0KKZ02)
Chemical Name	Ethyl 2-(3-(Trifluoromethyl)Phenyl)Acetate
IUPAC Name	ethyl 2-[3-(trifluoromethyl)phenyl]acetate
InChI	InChI=1S/C11H11F3O2/c1-2-16-10(15)7-8-4-3-5-9(6-8)11(12,13)14/h3-6H,2,7H2,1H3
InChI Key	JDSJLOLGIHAOOZ-UHFFFAOYSA-N
MDL Number	MFCD03094388
Molecular Formula	C11H11F3O2
Molecular Weight	232.1990
SMILES	CCOC(=O)CC1=CC(=CC=C1)C(F)(F)F
Synonyms	331-33-9, ethyl 2-(3-(trifluoromethyl)phenyl)acetate, ethyl 3-(trifluoromethyl)phenylacetate, ethyl 2-[3-(trifluoromethyl)phenyl]acetate, ethyl 3-(trifluoromethyl)phenyl acetate, Ethyl 3-trifluoromethylphenylacetate, ethyl [3-(trifluoromethyl)phenyl]acetate, AC1MCTNA, SCHEMBL701131, Benzeneacetic acid, 3-(trifluoromethyl)-, ethyl ester, CTK4H0002, DTXSID80381021, JDSJLOLGIHAOOZ-UHFFFAOYSA-N, KS-00003QW4, ZINC2243278, ANW-71286, ethyl 3-trifluoromethyl phenylacetate, MFCD03094388, SBB097895, ethyl 3-(trifluomethyl)phenyl acetate, AKOS008948042, ethyl-3-(trifluoromethyl)phenylacetate, PS-6773, AJ-34269, SC-87480, 3-[(Ethoxycarbonyl)methyl]benzotrifluoride, TC-160031, ST24030451, 3-(Trifluoromethyl)benzeneacetic acid ethyl ester, Benzeneacetic acid,3-(trifluoromethyl)-, ethyl ester, 3-[(Ethoxycarbonyl)methyl]-alpha,alpha,alpha-trifluorotoluene, ZINC02243278, CID2778597, ethyl-3-(trifluoromethyl)phenyl acetate,

Complexity	238
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	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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