AG002KI6

209991-62-8 | Benzeneacetic acid, 3,4,5-trifluoro-

AG002KI6

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CAS Number	209991-62-8
Catalog Number	AG002KI6(AGN-PC-0KKYKT)
Chemical Name	Benzeneacetic acid, 3,4,5-trifluoro-
IUPAC Name	2-(3,4,5-trifluorophenyl)acetic acid
InChI	InChI=1S/C8H5F3O2/c9-5-1-4(3-7(12)13)2-6(10)8(5)11/h1-2H,3H2,(H,12,13)
InChI Key	PQGPUBAARWWOOP-UHFFFAOYSA-N
MDL Number	MFCD00083532
Molecular Formula	C8H5F3O2
Molecular Weight	190.1193
SMILES	C(C(=O)O)c1cc(F)c(c(c1)F)F
Synonyms	3,4,5-Trifluorophenylacetic acid, 209991-62-8, 2-(3,4,5-trifluorophenyl)acetic Acid, 3,4,5-Trifluorophenylaceticacid, (3,4,5-trifluorophenyl)acetic acid, 3,4,5-(trifluorophenyl)acetic acid, Benzeneacetic acid, 3,4,5-trifluoro-, 3,4,5-trifluorobenzene acetic acid, MFCD00083532, PubChem7292, AC1MCS7B, ACMC-1CCC9, KSC494I9J, SCHEMBL908287, RARECHEM AL BO 0708, CTK3J4494, KS-00000ZPZ, DTXSID70380725, PQGPUBAARWWOOP-UHFFFAOYSA-N, 3,4,5-Trifluorobenzeneacetic acid, JRD-0304, ZINC2575058, ANW-48126, SBB065960, WT1663, AKOS005258487, AM62270, AS02186, RTR-009868, VZ25427, AC-23891, AJ-42320, AK-51226, AN-29888, BR-51226, PS-10101, SC-99282, AB0029990, ST2404568, TR-009868, FT-0614149, X2165, (3,4,5-Trifluorophenyl)acetic acid AldrichCPR, A24090, S-1927, (3,4,5-Trifluorophenyl)acetic acid, AldrichCPR, 209991-62-8 3,4,5-trifluorophenylacetic acid, 991T628, C8H5F3O2, CID2777952, 3,4,5-Trifluorophenylacetic acid, 98% - 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	1
Isotope Atom Count	0
Molecular Weight	190.121g/mol
Monoisotopic Mass	190.024g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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