AG002KI5

209991-63-9 | 2,4,6-Trifluorophenylacetic acid

AG002KI5

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CAS Number	209991-63-9
Catalog Number	AG002KI5(AGN-PC-0KKYKS)
Chemical Name	2,4,6-Trifluorophenylacetic acid
IUPAC Name	2-(2,4,6-trifluorophenyl)acetic acid
InChI	InChI=1S/C8H5F3O2/c9-4-1-6(10)5(3-8(12)13)7(11)2-4/h1-2H,3H2,(H,12,13)
InChI Key	NGEKZFHYZPHNKQ-UHFFFAOYSA-N
MDL Number	MFCD00061218
Molecular Formula	C8H5F3O2
Molecular Weight	190.1193
SMILES	O=C(O)CC1=C(F)C=C(F)C=C1F
Synonyms	2,4,6-Trifluorophenylacetic acid, 209991-63-9, 2-(2,4,6-trifluorophenyl)acetic Acid, MFCD00061218, Benzeneacetic acid, 2,4,6-trifluoro-, 2,4,6-trifluorobenzeneacetic acid, (2,4,6-trifluorophenyl)acetic acid, AK-34067, PubChem4209, ACMC-1CCPV, AC1MCS78, AC1Q74VI, KSC494I9L, SCHEMBL153965, RARECHEM AL BO 0511, CTK3J4495, DTXSID10380724, PC7818G, NGEKZFHYZPHNKQ-UHFFFAOYSA-N, 2,4,6 trifluorophenyl acetic acid, 2,4,6-trifluoro-phenylacetic acid, ACT00445, BUTTPARK 145\04-86, JRD-0264, ZINC4290228, ZX-AP004651, ANW-47474, BBL103199, CK1037, CT-559, FCH918153, SBB063254, STL557009, AKOS005258486, AC-9795, AM84141, AS01980, CM13739, MCULE-1380105435, RTR-009869, TRA0073300, VZ22399, (2,4,6-Trifluoro-phenyl)-acetic acid, KS-00000M78, AJ-50308, AN-29889, BR-34067, CC-07160, DS-12191, N593, SC-02405, AB0015897, AX8005746, DB-025760, ST2403644, TR-009869, FT-0643954, ST50407104, 2,4,6-trifluorophenylacetic acid, AldrichCPR, A21836, S-1928, 991T639, C-08055, I01-1010, C8H5F3O2, 1-Bromo-4-(perfluoroethoxy)benzene, CID2777951, 2,4,6-Trifluorophenylacetic acid, 98% 500mg, 2,4,6-Trifluorophenylacetic acid, 98% - 2G 2g, 111043-48-2,

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-P305+P351+P338
UN Code

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