AG003MQJ

654-99-9 | 5-Fluoro-2-(trifluoromethyl)benzoic acid

AG003MQJ

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CAS Number	654-99-9
Catalog Number	AG003MQJ(AGN-PC-0TGZWB)
Chemical Name	5-Fluoro-2-(trifluoromethyl)benzoic acid
IUPAC Name	5-fluoro-2-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4F4O2/c9-4-1-2-6(8(10,11)12)5(3-4)7(13)14/h1-3H,(H,13,14)
InChI Key	BRFNBGWEOKQIND-UHFFFAOYSA-N
MDL Number	MFCD18208176
Molecular Formula	C8H4F4O2
Molecular Weight	208.1098
SMILES	O=C(O)C1=CC(F)=CC=C1C(F)(F)F
Synonyms	5-Fluoro-2-(trifluoromethyl)benzoic acid, 654-99-9, 2-trifluoromethyl-5-fluorobenzoic acid, 5-fluoro-2-trifluoromethylbenzoic acid, alpha,alpha,alpha,5-Tetrafluoro-o-toluic acid, MFCD00083521, 2-trifluoromethyl-5-fluorobrnzoic acid, PubChem7873, AC1LELRR, OTF-BOA-5F, ACMC-209wv9, KSC495K4F, AKOS AKM01163, SCHEMBL222474, RARECHEM AL BO 0853, CTK3J5542, ZINC57043, DTXSID90350864, BRFNBGWEOKQIND-UHFFFAOYSA-N, WT081, AC1Q7230, ACT12059, JRD-0747, KS-00000M4B, ANW-46867, CF-941, SBB064470, AKOS005067841, 3-Fluoro-6-trifluoromethylbenzoic acid, AC-3994, AM84155, AS01889, CM12800, CS-W023084, MCULE-4745532087, RP26400, RTR-022286, 5-fluoro 2-trifluoromethyl benzoic acid, 5-fluoro-2-trifluoromethyl benzoic acid, 5-fluoro-2-trifluoromethyl-benzoic acid, AJ-09549, AK-36005, AN-12403, AS-19099, SC-77081, AB0031411, DB-008462, ST2406247, TR-022286, 4CH-002586, F0761, FT-0620388, ST50319731, X4501, A20064, Q-9380, 5-Fluoro-2-(trifluoromethyl)benzoic acid, 98%, I01-4924, J-517499, 654-99-9 5-fluoro-2-(trifluoromethyl)benzoic acid, C8H4F4O2, CID688294, 5-Fluoro-2-(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