AG007D5L

346603-63-2 | Methyl 2-methyl-3-(trifluoromethyl)benzoate

AG007D5L

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CAS Number	346603-63-2
Catalog Number	AG007D5L(AGN-PC-0WANNR)
Chemical Name	Methyl 2-methyl-3-(trifluoromethyl)benzoate
IUPAC Name	methyl 2-methyl-3-(trifluoromethyl)benzoate
InChI	InChI=1S/C10H9F3O2/c1-6-7(9(14)15-2)4-3-5-8(6)10(11,12)13/h3-5H,1-2H3
InChI Key	KFJGSNVBDYRBAD-UHFFFAOYSA-N
MDL Number	MFCD14698066
Molecular Formula	C10H9F3O2
Molecular Weight	218.1725
SMILES	O=C(OC)C1=CC=CC(C(F)(F)F)=C1C
Synonyms	Methyl 2-methyl-3-(trifluoromethyl)benzoate, 346603-63-2, AK105568, SCHEMBL726068, ACMC-209i95, CTK8B1505, DTXSID10591196, KFJGSNVBDYRBAD-UHFFFAOYSA-N, ANW-27927, MFCD14698066, ZINC47202426, AKOS016013872, GS-5436, KS-0000107K, CJ-20557, SC-66211, AB0058610, AJ-110640, AX8242256, TC-116672, FT-0758198, V5351, X-1972, 2-methyl-3-trifluoromethyl-benzoic acid methyl ester, Benzoic acid, 2-methyl-3-(trifluoromethyl)-, methyl ester, C10H9F3O2, ACN-056554,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.055g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	218.175g/mol
Monoisotopic Mass	218.055g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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