AG000FQZ

115029-22-6 | Benzoic acid, 2-fluoro-3-(trifluoromethyl)-

AG000FQZ

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CAS Number	115029-22-6
Catalog Number	AG000FQZ(AGN-PC-0JS84M)
Chemical Name	Benzoic acid, 2-fluoro-3-(trifluoromethyl)-
IUPAC Name	2-fluoro-3-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4F4O2/c9-6-4(7(13)14)2-1-3-5(6)8(10,11)12/h1-3H,(H,13,14)
InChI Key	XVEAMDNSCPPPCP-UHFFFAOYSA-N
MDL Number	MFCD00040980
Molecular Formula	C8H4F4O2
Molecular Weight	208.1098
SMILES	O=C(O)c1cccc(c1(F))C(F)(F)F
Synonyms	2-Fluoro-3-(trifluoromethyl)benzoic acid, 115029-22-6, 2-fluoro-3-trifluoromethylbenzoic acid, alpha,alpha,alpha,2-Tetrafluoro-m-toluic Acid, 2-Fluoro-3-(trifluoromethyl)benzoicacid, Benzoic acid, 2-fluoro-3-(trifluoromethyl)-, MFCD00040980, 2-Fluoro-3-trifluoromethylbenzioc acid, 2-fluoro-3-trifluoromethyl-benzoic acid, XVEAMDNSCPPPCP-UHFFFAOYSA-N, 2-Fluoro-3-(trifluoromethyl)benzoic acid, 98%, PubChem2741, AC1LAPSN, ACMC-1BOZ3, AC1Q73JV, KSC489Q1L, SCHEMBL398909, RARECHEM AL BO 0625, CTK3I9815, KS-00000VAU, ZINC56724, DTXSID00333769, BUTTPARK 29\06-65, 3-Carboxy-2-fluorobenzotrifluoride, WT008, ACT07323, BCP26716, JRD-0541, AN-005, ANW-16841, CF-701, CL8045, SBB063275, 3-trifluoromethyl-2-fluorobenzoic acid, AKOS005146280, AC-3987, AS01882, BCP9000106, LF10850, MCULE-4317580284, PS-8050, RP26402, RTR-002877, TRA0062443, VZ24541, AJ-09381, AM808240, N609, SC-47361, SY022251, 2-fluoro-3-(trifluoromethyl) benzoic acid, AB0015910, DB-025023, ST2416876, TR-002877, CS-0007568, F0619, FT-0612309, ST50319909, TL80074120, MFCD00040980 (98%), Q-8861, 65333-EP2295429A1, 65333-EP2308812A2, 2 - Fluoro - 3 - (trifluoromethyl)benzoic acid, I01-1104, J-509360, 115029-22-6 2-fluoro-3-(trifluoromethyl)benzoic acid, 3-fluoro-6-nitrobenzoic acid, 2-Nitro-5-fluorobenzoic acid, 5-Fluoro-2-nitrobenzoic acid, C8H4F4O2, RARECHEM AL BO 0968, TIMTEC-BB SBB028510, BUTTPARK 32\01-77, CID518002, 2-CARBOXY-4-FLUORONITROBENZEN, ACN-050251, BENZOIC ACID, 5-FLUORO-2-NITRO-, A2353, 2-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