AG0032YL

28314-80-9 | 2,4,6-Trifluorobenzoic acid

AG0032YL

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CAS Number	28314-80-9
Catalog Number	AG0032YL(AGN-PC-0JS9FV)
Chemical Name	2,4,6-Trifluorobenzoic acid
EC Number	623-645-5
IUPAC Name	2,4,6-trifluorobenzoic acid
InChI	InChI=1S/C7H3F3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
InChI Key	SJZATRRXUILGHH-UHFFFAOYSA-N
MDL Number	MFCD00042398
Molecular Formula	C7H3F3O2
Molecular Weight	176.0927
SMILES	O=C(O)c1c(F)cc(F)cc1(F)
Synonyms	2,4,6-Trifluorobenzoic acid, 28314-80-9, BENZOIC ACID, 2,4,6-TRIFLUORO-, 2,4,6-Trifluorobenzoicacid, MFCD00042398, SJZATRRXUILGHH-UHFFFAOYSA-N, 2,4,6-Trifluorobenzoic Acid The Derivatives, 2,4,6-Trifluorobenzioc acid, PubChem1347, AC1LAU6U, ACMC-209h1r, AC1Q72BF, KSC204G9T, SCHEMBL288979, 2,4,6-trifluoro-benzoic acid, Jsp005438, RARECHEM AL BO 0448, Benzoicacid, 2,4,6-trifluoro-, CTK1A4399, KS-00000CON, TIMTEC-BB SBB006688, DTXSID50334327, BUTTPARK 44\01-13, ZINC389658, ACT12079, JRD-0084, ANW-26365, CT-553, SBB006688, 2,4,6-Trifluorobenzoic acid, 98%, AKOS000152490, AC-4009, AS01908, CM12882, CS-W002210, MCULE-2872389667, RP23756, RTR-012513, TF10335, TRA0043465, VZ22395, WT82278, AJ-20896, AK161853, AN-12418, CS-11287, L052, SC-76120, SY014352, TL806137, AB0014504, DB-030782, TR-012513, AM20040089, FT-0609862, ST24038595, ST50307069, EN300-67167, C-4976, MFCD00042398 (97+%), I01-0728, J-507075, InChI=1/C7H3F3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12, C7H3F3O2, CID520373, ACN-056589, A1624, T2409, 2,4,6-Trifluorobenzoic acid, 98% - 1G 1g,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.009g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.094g/mol
Monoisotopic Mass	176.009g/mol
Rotatable Bond Count	1
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

Certificate of Analysis

Lot Number