AG0053SW

773873-72-6 | Methyl 3,4,5-trifluorobenzoate

AG0053SW

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CAS Number	773873-72-6
Catalog Number	AG0053SW(AGN-PC-0KL26V)
Chemical Name	Methyl 3,4,5-trifluorobenzoate
IUPAC Name	methyl 3,4,5-trifluorobenzoate
InChI	InChI=1S/C8H5F3O2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,1H3
InChI Key	NBBPHMUHCCIOJQ-UHFFFAOYSA-N
MDL Number	MFCD06200977
Molecular Formula	C8H5F3O2
Molecular Weight	190.1193
SMILES	COC(=O)C1=CC(F)=C(F)C(F)=C1
Synonyms	methyl 3,4,5-trifluorobenzoate, 773873-72-6, Methyl 3,4,5-trifluorobenzenecarboxylate, MFCD06200977, AC1MD40H, methyltrifluorobenzenecarboxylate, SCHEMBL1096952, CTK5E4393, DTXSID00382510, NBBPHMUHCCIOJQ-UHFFFAOYSA-N, KS-00000O8K, ZINC3884063, 2111AC, ANW-55312, KM1853, SBB091059, AKOS005070729, MCULE-5441434027, RP11241, AJ-46997, AK-69373, SY041171, TR-037775, 5-(Methoxycarbonyl)-1,2,3-trifluorobenzene, FT-0680485, MFCD06200977 (95%), 5Y-0800, J-522106, I01-14969, Methyl3,4,5-trifluorobenzoate, C8H5F3O2, ZINC03884063, CID2783211, methyl 3,4,5-trifluorobenzoate, 95% - 1G 1g,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.024g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.121g/mol
Monoisotopic Mass	190.024g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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