AG003LDS

67515-55-3 | 4-Fluoro-3-(trifluoromethyl)benzoic acid

AG003LDS

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CAS Number	67515-55-3
Catalog Number	AG003LDS(AGN-PC-0JSAI8)
Chemical Name	4-Fluoro-3-(trifluoromethyl)benzoic acid
IUPAC Name	4-fluoro-3-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4F4O2/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H,13,14)
InChI Key	WZBPZYCJUADXRS-UHFFFAOYSA-N
MDL Number	MFCD00061294
Molecular Formula	C8H4F4O2
Molecular Weight	208.1098
SMILES	O=C(O)C1=CC=C(F)C(C(F)(F)F)=C1
Synonyms	4-Fluoro-3-(trifluoromethyl)benzoic acid, 67515-55-3, 4-Fluoro-3-trifluoromethylbenzoic acid, alpha,alpha,alpha,4-Tetrafluoro-m-toluic Acid, MFCD00061294, 4-Fluoro-3-(trifluomethyl)benzoic acid, WZBPZYCJUADXRS-UHFFFAOYSA-N, 4-fluoro-3-trifluoromethyl benzoic acid, Benzoic acid, 4-fluoro-3-(trifluoromethyl)-, PubChem4972, 4-Fluoro-3-(trifluoromethyl)benzoicacid, AC1LAWPG, ACMC-1BAFH, AC1Q73BC, SCHEMBL78878, KSC495K5D, AC1Q72S7, CS-WAA0327, RARECHEM AL BO 0636, CTK3J5551, ZINC57041, DTXSID50334903, BUTTPARK 29\01-67, 5-Carboxy-2-fluorobenzotrifluoride, ACT00262, JRD-0151, ANW-35358, CF-938, SBB064474, WT1640, AKOS003381885, AC-3993, AS01888, CM12798, MCULE-5348245012, PF10916, PS-8045, RTR-022676, TRA0016875, VZ29014, 4-fluoro-3-trifluoromethyl-benzoic acid, KS-0000112E, 2-Thrifluoromethyl-4-fluoro-benzoic acid, 4-fluoro-3 (trifluoromethyl)benzoic acid, AJ-09547, AN-12402, BR-36075, SC-06213, SY016809, U091, 4-fluoro-3-(trifluoromethyl)-benzoic acid, AB0019095, DB-024209, ST2405791, TR-022676, 4-Fluoro-3-(trifluoromethyl)benzoic acid #, A9043, AM20040996, F0760, FT-0618469, ST45028028, TL80090202, EN300-56138, MFCD00061294 (97%), S-1976, 4-Fluoro-3-(trifluoromethyl)benzoic acid, 99%, I01-4936, 67515-55-3 4-fluoro-3-trifluoromethylbenzoic acid, Z1259040959, C8H4F4O2, CID522268, ACN-056551, 4-Fluoro-3-(trifluoromethyl)benzoic acid, 98% - 1G 1g,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.015g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.112g/mol
Monoisotopic Mass	208.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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